USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 957 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 TYR OH : rot 115:sc= 0.85 USER MOD Set 1.2: A 135 LYS NZ :NH3+ -159:sc= 0.36 (180deg=0.122) USER MOD Set 2.1: A 97 MET CE :methyl 145:sc= -1.9 (180deg=-0.098) USER MOD Set 2.2: A 100 GLN :FLIP amide:sc= -3.32! C(o=-9.5!,f=-5.2!) USER MOD Set 3.1: A 57 ASN : amide:sc= -1.37! C(o=-2.6!,f=-9.8!) USER MOD Set 3.2: A 62 SER OG : rot 55:sc= 1.12 USER MOD Set 3.3: A 64 ASN : amide:sc= -2.32! C(o=-2.6!,f=-4.7!) USER MOD Set 4.1: A 55 SER OG : rot -60:sc= 2.03 USER MOD Set 4.2: A 66 TYR OH : rot 50:sc= 1.19 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HE2:sc= 0.287 K(o=0.29,f=-5!) USER MOD Single : A 42 SER OG : rot -147:sc= 0.362 USER MOD Single : A 43 LYS NZ :NH3+ 161:sc= 1.2 (180deg=1.07) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0157 K(o=-0.016,f=-0.98) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0198 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.531 F(o=-1.9!,f=-0.53) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -2.48! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 50:sc= -0.14 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 82 LYS NZ :NH3+ -170:sc=-0.00725 (180deg=-0.14) USER MOD Single : A 84 MET CE :methyl 166:sc=-0.00391 (180deg=-0.581) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.2) USER MOD Single : A 90 LYS NZ :NH3+ 167:sc= 1.19 (180deg=1.05) USER MOD Single : A 101 LYS NZ :NH3+ 140:sc= 2.45 (180deg=2.04) USER MOD Single : A 106 LYS NZ :NH3+ -118:sc= 1.45 (180deg=0.161) USER MOD Single : A 109 SER OG : rot -83:sc= 1.27 USER MOD Single : A 110 MET CE :methyl -171:sc= -6.94! (180deg=-7.36!) USER MOD Single : A 112 LYS NZ :NH3+ -173:sc= 0.0527 (180deg=-0.0798) USER MOD Single : A 118 LYS NZ :NH3+ -160:sc= -0.442 (180deg=-0.897!) USER MOD Single : A 125 THR OG1 : rot 36:sc= 0.0895 USER MOD Single : A 130 LYS NZ :NH3+ -168:sc= 1.36 (180deg=0.804!) USER MOD Single : A 137 LYS NZ :NH3+ -169:sc= -0.48 (180deg=-0.489) USER MOD Single : B 555 THR OG1 : rot 180:sc= 0 USER MOD Single : B 556 THR OG1 : rot -86:sc= 0.897 USER MOD Single : B 562 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 563 SER OG : rot 180:sc= 0 USER MOD Single : B 566 SER OG : rot 106:sc= 1.29 USER MOD Single : B 567 TYR OH : rot 180:sc= 0 USER MOD Single : B 569 ASN :FLIP amide:sc= -1.36 F(o=-3.8!,f=-1.4) USER MOD Single : B 570 TYR OH : rot -2:sc= 0.267 USER MOD ----------------------------------------------------------------- ATOM 76 N LYS A 34 -2.011 5.451 10.236 1.00 0.62 N ATOM 77 CA LYS A 34 -2.009 4.028 10.286 1.00 0.54 C ATOM 78 C LYS A 34 -0.725 3.477 9.680 1.00 0.43 C ATOM 79 O LYS A 34 -0.504 3.588 8.472 1.00 0.53 O ATOM 80 CB LYS A 34 -3.232 3.572 9.509 1.00 0.66 C ATOM 81 CG LYS A 34 -4.365 3.121 10.401 1.00 0.83 C ATOM 82 CD LYS A 34 -4.947 4.263 11.211 1.00 0.84 C ATOM 83 CE LYS A 34 -6.038 3.775 12.144 1.00 0.90 C ATOM 84 NZ LYS A 34 -6.419 4.813 13.135 1.00 1.23 N ATOM 0 HA LYS A 34 -2.049 3.662 11.312 1.00 0.54 H new ATOM 0 HB2 LYS A 34 -3.579 4.389 8.876 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -2.950 2.753 8.847 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -5.150 2.674 9.791 1.00 0.83 H new ATOM 0 HG3 LYS A 34 -4.006 2.345 11.077 1.00 0.83 H new ATOM 0 HD2 LYS A 34 -4.157 4.741 11.790 1.00 0.84 H new ATOM 0 HD3 LYS A 34 -5.352 5.020 10.539 1.00 0.84 H new ATOM 0 HE2 LYS A 34 -6.914 3.489 11.562 1.00 0.90 H new ATOM 0 HE3 LYS A 34 -5.697 2.881 12.666 1.00 0.90 H new ATOM 0 HZ1 LYS A 34 -7.167 4.443 13.755 1.00 1.23 H new ATOM 0 HZ2 LYS A 34 -5.589 5.068 13.708 1.00 1.23 H new ATOM 0 HZ3 LYS A 34 -6.768 5.657 12.637 1.00 1.23 H new ATOM 98 N GLU A 35 0.128 2.908 10.520 1.00 0.43 N ATOM 99 CA GLU A 35 1.404 2.381 10.060 1.00 0.48 C ATOM 100 C GLU A 35 1.228 0.992 9.465 1.00 0.40 C ATOM 101 O GLU A 35 1.211 -0.013 10.182 1.00 0.55 O ATOM 102 CB GLU A 35 2.411 2.305 11.208 1.00 0.75 C ATOM 103 CG GLU A 35 2.663 3.627 11.907 1.00 1.06 C ATOM 104 CD GLU A 35 3.679 3.500 13.021 1.00 1.35 C ATOM 105 OE1 GLU A 35 3.510 2.621 13.891 1.00 1.86 O ATOM 106 OE2 GLU A 35 4.657 4.274 13.033 1.00 1.83 O ATOM 0 H GLU A 35 -0.040 2.800 11.520 1.00 0.43 H new ATOM 0 HA GLU A 35 1.782 3.060 9.296 1.00 0.48 H new ATOM 0 HB2 GLU A 35 2.054 1.582 11.941 1.00 0.75 H new ATOM 0 HB3 GLU A 35 3.357 1.926 10.821 1.00 0.75 H new ATOM 0 HG2 GLU A 35 3.013 4.360 11.180 1.00 1.06 H new ATOM 0 HG3 GLU A 35 1.725 4.005 12.314 1.00 1.06 H new ATOM 113 N TRP A 36 1.117 0.937 8.154 1.00 0.28 N ATOM 114 CA TRP A 36 1.041 -0.335 7.457 1.00 0.25 C ATOM 115 C TRP A 36 2.434 -0.744 6.978 1.00 0.26 C ATOM 116 O TRP A 36 3.013 -0.088 6.113 1.00 0.40 O ATOM 117 CB TRP A 36 0.099 -0.246 6.248 1.00 0.26 C ATOM 118 CG TRP A 36 -1.272 0.311 6.532 1.00 0.19 C ATOM 119 CD1 TRP A 36 -1.840 1.398 5.932 1.00 0.56 C ATOM 120 CD2 TRP A 36 -2.248 -0.179 7.465 1.00 0.54 C ATOM 121 NE1 TRP A 36 -3.112 1.596 6.415 1.00 0.47 N ATOM 122 CE2 TRP A 36 -3.380 0.653 7.358 1.00 0.27 C ATOM 123 CE3 TRP A 36 -2.284 -1.235 8.376 1.00 1.19 C ATOM 124 CZ2 TRP A 36 -4.528 0.463 8.117 1.00 0.56 C ATOM 125 CZ3 TRP A 36 -3.427 -1.423 9.136 1.00 1.51 C ATOM 126 CH2 TRP A 36 -4.536 -0.578 9.000 1.00 1.19 C ATOM 0 H TRP A 36 1.077 1.756 7.548 1.00 0.28 H new ATOM 0 HA TRP A 36 0.650 -1.079 8.151 1.00 0.25 H new ATOM 0 HB2 TRP A 36 0.572 0.373 5.486 1.00 0.26 H new ATOM 0 HB3 TRP A 36 -0.014 -1.244 5.824 1.00 0.26 H new ATOM 0 HD1 TRP A 36 -1.360 2.013 5.186 1.00 0.56 H new ATOM 0 HE1 TRP A 36 -3.752 2.332 6.115 1.00 0.47 H new ATOM 0 HE3 TRP A 36 -1.436 -1.894 8.487 1.00 1.19 H new ATOM 0 HZ2 TRP A 36 -5.383 1.115 8.012 1.00 0.56 H new ATOM 0 HZ3 TRP A 36 -3.464 -2.236 9.846 1.00 1.51 H new ATOM 0 HH2 TRP A 36 -5.413 -0.753 9.605 1.00 1.19 H new ATOM 137 N HIS A 37 2.986 -1.807 7.550 1.00 0.25 N ATOM 138 CA HIS A 37 4.282 -2.319 7.100 1.00 0.25 C ATOM 139 C HIS A 37 4.102 -3.125 5.821 1.00 0.24 C ATOM 140 O HIS A 37 3.458 -4.168 5.829 1.00 0.30 O ATOM 141 CB HIS A 37 4.943 -3.186 8.181 1.00 0.29 C ATOM 142 CG HIS A 37 5.442 -2.411 9.367 1.00 0.34 C ATOM 143 ND1 HIS A 37 6.753 -2.008 9.514 1.00 0.61 N ATOM 144 CD2 HIS A 37 4.794 -1.968 10.471 1.00 0.68 C ATOM 145 CE1 HIS A 37 6.888 -1.358 10.655 1.00 0.51 C ATOM 146 NE2 HIS A 37 5.712 -1.316 11.254 1.00 0.56 N ATOM 0 H HIS A 37 2.565 -2.329 8.318 1.00 0.25 H new ATOM 0 HA HIS A 37 4.936 -1.469 6.904 1.00 0.25 H new ATOM 0 HB2 HIS A 37 4.225 -3.931 8.523 1.00 0.29 H new ATOM 0 HB3 HIS A 37 5.778 -3.728 7.737 1.00 0.29 H new ATOM 0 HD1 HIS A 37 7.502 -2.185 8.845 1.00 0.61 H new ATOM 0 HD2 HIS A 37 3.746 -2.103 10.694 1.00 0.68 H new ATOM 0 HE1 HIS A 37 7.805 -0.932 11.034 1.00 0.51 H new ATOM 155 N ILE A 38 4.658 -2.634 4.723 1.00 0.20 N ATOM 156 CA ILE A 38 4.453 -3.259 3.421 1.00 0.20 C ATOM 157 C ILE A 38 5.201 -4.589 3.309 1.00 0.21 C ATOM 158 O ILE A 38 6.371 -4.695 3.672 1.00 0.27 O ATOM 159 CB ILE A 38 4.879 -2.319 2.278 1.00 0.20 C ATOM 160 CG1 ILE A 38 4.164 -0.983 2.409 1.00 0.21 C ATOM 161 CG2 ILE A 38 4.550 -2.937 0.934 1.00 0.21 C ATOM 162 CD1 ILE A 38 4.709 0.085 1.491 1.00 0.20 C ATOM 0 H ILE A 38 5.254 -1.806 4.706 1.00 0.20 H new ATOM 0 HA ILE A 38 3.385 -3.459 3.330 1.00 0.20 H new ATOM 0 HB ILE A 38 5.956 -2.163 2.343 1.00 0.20 H new ATOM 0 HG12 ILE A 38 3.104 -1.125 2.199 1.00 0.21 H new ATOM 0 HG13 ILE A 38 4.241 -0.638 3.440 1.00 0.21 H new ATOM 0 HG21 ILE A 38 4.857 -2.260 0.137 1.00 0.21 H new ATOM 0 HG22 ILE A 38 5.079 -3.884 0.830 1.00 0.21 H new ATOM 0 HG23 ILE A 38 3.476 -3.112 0.867 1.00 0.21 H new ATOM 0 HD11 ILE A 38 4.152 1.010 1.638 1.00 0.20 H new ATOM 0 HD12 ILE A 38 5.762 0.255 1.716 1.00 0.20 H new ATOM 0 HD13 ILE A 38 4.607 -0.239 0.455 1.00 0.20 H new ATOM 174 N VAL A 39 4.495 -5.597 2.808 1.00 0.19 N ATOM 175 CA VAL A 39 5.026 -6.948 2.693 1.00 0.18 C ATOM 176 C VAL A 39 5.113 -7.401 1.240 1.00 0.16 C ATOM 177 O VAL A 39 4.163 -7.247 0.488 1.00 0.18 O ATOM 178 CB VAL A 39 4.127 -7.947 3.433 1.00 0.20 C ATOM 179 CG1 VAL A 39 4.623 -9.367 3.251 1.00 0.23 C ATOM 180 CG2 VAL A 39 4.011 -7.591 4.892 1.00 0.26 C ATOM 0 H VAL A 39 3.538 -5.499 2.470 1.00 0.19 H new ATOM 0 HA VAL A 39 6.024 -6.925 3.131 1.00 0.18 H new ATOM 0 HB VAL A 39 3.130 -7.888 2.996 1.00 0.20 H new ATOM 0 HG11 VAL A 39 3.967 -10.053 3.786 1.00 0.23 H new ATOM 0 HG12 VAL A 39 4.624 -9.619 2.191 1.00 0.23 H new ATOM 0 HG13 VAL A 39 5.636 -9.452 3.645 1.00 0.23 H new ATOM 0 HG21 VAL A 39 3.368 -8.315 5.393 1.00 0.26 H new ATOM 0 HG22 VAL A 39 5.000 -7.606 5.350 1.00 0.26 H new ATOM 0 HG23 VAL A 39 3.580 -6.594 4.990 1.00 0.26 H new ATOM 190 N PRO A 40 6.250 -7.964 0.833 1.00 0.14 N ATOM 191 CA PRO A 40 6.403 -8.597 -0.477 1.00 0.14 C ATOM 192 C PRO A 40 5.847 -10.019 -0.494 1.00 0.16 C ATOM 193 O PRO A 40 6.237 -10.859 0.320 1.00 0.28 O ATOM 194 CB PRO A 40 7.926 -8.634 -0.673 1.00 0.17 C ATOM 195 CG PRO A 40 8.497 -7.856 0.470 1.00 0.15 C ATOM 196 CD PRO A 40 7.504 -8.001 1.578 1.00 0.14 C ATOM 0 HA PRO A 40 5.864 -8.058 -1.257 1.00 0.14 H new ATOM 0 HB2 PRO A 40 8.296 -9.659 -0.673 1.00 0.17 H new ATOM 0 HB3 PRO A 40 8.209 -8.192 -1.628 1.00 0.17 H new ATOM 0 HG2 PRO A 40 9.473 -8.244 0.762 1.00 0.15 H new ATOM 0 HG3 PRO A 40 8.638 -6.809 0.202 1.00 0.15 H new ATOM 0 HD2 PRO A 40 7.631 -8.935 2.126 1.00 0.14 H new ATOM 0 HD3 PRO A 40 7.576 -7.192 2.305 1.00 0.14 H new ATOM 204 N VAL A 41 4.929 -10.282 -1.414 1.00 0.14 N ATOM 205 CA VAL A 41 4.364 -11.619 -1.562 1.00 0.16 C ATOM 206 C VAL A 41 5.071 -12.367 -2.691 1.00 0.18 C ATOM 207 O VAL A 41 5.578 -13.473 -2.499 1.00 0.23 O ATOM 208 CB VAL A 41 2.850 -11.584 -1.873 1.00 0.17 C ATOM 209 CG1 VAL A 41 2.282 -12.996 -1.912 1.00 0.21 C ATOM 210 CG2 VAL A 41 2.083 -10.730 -0.871 1.00 0.20 C ATOM 0 H VAL A 41 4.560 -9.591 -2.067 1.00 0.14 H new ATOM 0 HA VAL A 41 4.511 -12.129 -0.610 1.00 0.16 H new ATOM 0 HB VAL A 41 2.729 -11.125 -2.854 1.00 0.17 H new ATOM 0 HG11 VAL A 41 1.215 -12.953 -2.132 1.00 0.21 H new ATOM 0 HG12 VAL A 41 2.789 -13.571 -2.686 1.00 0.21 H new ATOM 0 HG13 VAL A 41 2.434 -13.476 -0.945 1.00 0.21 H new ATOM 0 HG21 VAL A 41 1.023 -10.733 -1.126 1.00 0.20 H new ATOM 0 HG22 VAL A 41 2.216 -11.138 0.131 1.00 0.20 H new ATOM 0 HG23 VAL A 41 2.461 -9.708 -0.900 1.00 0.20 H new ATOM 220 N SER A 42 5.108 -11.740 -3.860 1.00 0.19 N ATOM 221 CA SER A 42 5.672 -12.357 -5.054 1.00 0.25 C ATOM 222 C SER A 42 7.178 -12.126 -5.143 1.00 0.24 C ATOM 223 O SER A 42 7.705 -11.126 -4.649 1.00 0.35 O ATOM 224 CB SER A 42 4.980 -11.794 -6.288 1.00 0.34 C ATOM 225 OG SER A 42 3.592 -12.087 -6.266 1.00 1.08 O ATOM 0 H SER A 42 4.751 -10.796 -4.007 1.00 0.19 H new ATOM 0 HA SER A 42 5.506 -13.433 -4.998 1.00 0.25 H new ATOM 0 HB2 SER A 42 5.128 -10.715 -6.333 1.00 0.34 H new ATOM 0 HB3 SER A 42 5.431 -12.215 -7.187 1.00 0.34 H new ATOM 0 HG SER A 42 3.271 -12.221 -7.182 1.00 1.08 H new ATOM 231 N LYS A 43 7.849 -13.074 -5.803 1.00 0.28 N ATOM 232 CA LYS A 43 9.309 -13.148 -5.853 1.00 0.31 C ATOM 233 C LYS A 43 9.979 -11.878 -6.373 1.00 0.26 C ATOM 234 O LYS A 43 11.116 -11.585 -6.001 1.00 0.32 O ATOM 235 CB LYS A 43 9.746 -14.369 -6.676 1.00 0.42 C ATOM 236 CG LYS A 43 8.905 -14.648 -7.919 1.00 1.02 C ATOM 237 CD LYS A 43 9.249 -13.729 -9.085 1.00 1.41 C ATOM 238 CE LYS A 43 8.391 -14.039 -10.304 1.00 2.09 C ATOM 239 NZ LYS A 43 8.785 -13.235 -11.494 1.00 2.95 N ATOM 0 H LYS A 43 7.387 -13.820 -6.323 1.00 0.28 H new ATOM 0 HA LYS A 43 9.646 -13.255 -4.822 1.00 0.31 H new ATOM 0 HB2 LYS A 43 10.783 -14.229 -6.982 1.00 0.42 H new ATOM 0 HB3 LYS A 43 9.719 -15.249 -6.033 1.00 0.42 H new ATOM 0 HG2 LYS A 43 9.050 -15.684 -8.225 1.00 1.02 H new ATOM 0 HG3 LYS A 43 7.850 -14.533 -7.671 1.00 1.02 H new ATOM 0 HD2 LYS A 43 9.102 -12.691 -8.788 1.00 1.41 H new ATOM 0 HD3 LYS A 43 10.303 -13.841 -9.341 1.00 1.41 H new ATOM 0 HE2 LYS A 43 8.472 -15.100 -10.542 1.00 2.09 H new ATOM 0 HE3 LYS A 43 7.345 -13.845 -10.068 1.00 2.09 H new ATOM 0 HZ1 LYS A 43 8.416 -13.686 -12.355 1.00 2.95 H new ATOM 0 HZ2 LYS A 43 8.392 -12.276 -11.410 1.00 2.95 H new ATOM 0 HZ3 LYS A 43 9.822 -13.181 -11.548 1.00 2.95 H new ATOM 253 N ASP A 44 9.279 -11.114 -7.201 1.00 0.23 N ATOM 254 CA ASP A 44 9.828 -9.912 -7.786 1.00 0.21 C ATOM 255 C ASP A 44 10.008 -8.818 -6.752 1.00 0.17 C ATOM 256 O ASP A 44 10.752 -7.862 -6.965 1.00 0.18 O ATOM 257 CB ASP A 44 8.889 -9.418 -8.870 1.00 0.25 C ATOM 258 CG ASP A 44 9.346 -9.795 -10.254 1.00 0.39 C ATOM 259 OD1 ASP A 44 10.345 -9.219 -10.724 1.00 0.44 O ATOM 260 OD2 ASP A 44 8.706 -10.669 -10.874 1.00 0.97 O ATOM 0 H ASP A 44 8.319 -11.314 -7.481 1.00 0.23 H new ATOM 0 HA ASP A 44 10.807 -10.152 -8.200 1.00 0.21 H new ATOM 0 HB2 ASP A 44 7.894 -9.828 -8.697 1.00 0.25 H new ATOM 0 HB3 ASP A 44 8.803 -8.333 -8.803 1.00 0.25 H new ATOM 265 N TYR A 45 9.313 -8.957 -5.637 1.00 0.15 N ATOM 266 CA TYR A 45 9.298 -7.923 -4.623 1.00 0.13 C ATOM 267 C TYR A 45 10.051 -8.376 -3.386 1.00 0.15 C ATOM 268 O TYR A 45 10.099 -7.670 -2.390 1.00 0.15 O ATOM 269 CB TYR A 45 7.854 -7.559 -4.270 1.00 0.12 C ATOM 270 CG TYR A 45 7.043 -7.155 -5.477 1.00 0.15 C ATOM 271 CD1 TYR A 45 6.529 -8.122 -6.333 1.00 0.23 C ATOM 272 CD2 TYR A 45 6.808 -5.819 -5.773 1.00 0.21 C ATOM 273 CE1 TYR A 45 5.807 -7.774 -7.453 1.00 0.29 C ATOM 274 CE2 TYR A 45 6.077 -5.462 -6.897 1.00 0.25 C ATOM 275 CZ TYR A 45 5.583 -6.448 -7.734 1.00 0.27 C ATOM 276 OH TYR A 45 4.863 -6.112 -8.858 1.00 0.35 O ATOM 0 H TYR A 45 8.751 -9.778 -5.412 1.00 0.15 H new ATOM 0 HA TYR A 45 9.797 -7.038 -5.018 1.00 0.13 H new ATOM 0 HB2 TYR A 45 7.377 -8.411 -3.786 1.00 0.12 H new ATOM 0 HB3 TYR A 45 7.856 -6.742 -3.549 1.00 0.12 H new ATOM 0 HD1 TYR A 45 6.699 -9.166 -6.116 1.00 0.23 H new ATOM 0 HD2 TYR A 45 7.198 -5.050 -5.122 1.00 0.21 H new ATOM 0 HE1 TYR A 45 5.419 -8.540 -8.108 1.00 0.29 H new ATOM 0 HE2 TYR A 45 5.894 -4.421 -7.118 1.00 0.25 H new ATOM 0 HH TYR A 45 4.024 -5.680 -8.592 1.00 0.35 H new ATOM 286 N PHE A 46 10.667 -9.548 -3.459 1.00 0.19 N ATOM 287 CA PHE A 46 11.425 -10.081 -2.323 1.00 0.23 C ATOM 288 C PHE A 46 12.575 -9.157 -1.933 1.00 0.22 C ATOM 289 O PHE A 46 13.161 -9.306 -0.862 1.00 0.26 O ATOM 290 CB PHE A 46 11.959 -11.484 -2.613 1.00 0.28 C ATOM 291 CG PHE A 46 11.035 -12.578 -2.162 1.00 0.36 C ATOM 292 CD1 PHE A 46 9.726 -12.625 -2.617 1.00 0.68 C ATOM 293 CD2 PHE A 46 11.472 -13.563 -1.295 1.00 0.68 C ATOM 294 CE1 PHE A 46 8.873 -13.633 -2.210 1.00 0.74 C ATOM 295 CE2 PHE A 46 10.625 -14.573 -0.884 1.00 0.76 C ATOM 296 CZ PHE A 46 9.323 -14.595 -1.312 1.00 0.57 C ATOM 0 H PHE A 46 10.660 -10.148 -4.284 1.00 0.19 H new ATOM 0 HA PHE A 46 10.732 -10.142 -1.484 1.00 0.23 H new ATOM 0 HB2 PHE A 46 12.133 -11.584 -3.684 1.00 0.28 H new ATOM 0 HB3 PHE A 46 12.923 -11.607 -2.120 1.00 0.28 H new ATOM 0 HD1 PHE A 46 9.369 -11.865 -3.297 1.00 0.68 H new ATOM 0 HD2 PHE A 46 12.490 -13.542 -0.934 1.00 0.68 H new ATOM 0 HE1 PHE A 46 7.862 -13.674 -2.587 1.00 0.74 H new ATOM 0 HE2 PHE A 46 10.989 -15.347 -0.224 1.00 0.76 H new ATOM 0 HZ PHE A 46 8.648 -15.358 -0.953 1.00 0.57 H new ATOM 306 N SER A 47 12.885 -8.201 -2.798 1.00 0.19 N ATOM 307 CA SER A 47 13.979 -7.297 -2.568 1.00 0.23 C ATOM 308 C SER A 47 13.507 -5.937 -2.055 1.00 0.17 C ATOM 309 O SER A 47 14.305 -5.016 -1.962 1.00 0.20 O ATOM 310 CB SER A 47 14.756 -7.127 -3.865 1.00 0.31 C ATOM 311 OG SER A 47 15.307 -8.365 -4.288 1.00 1.19 O ATOM 0 H SER A 47 12.382 -8.039 -3.671 1.00 0.19 H new ATOM 0 HA SER A 47 14.618 -7.723 -1.795 1.00 0.23 H new ATOM 0 HB2 SER A 47 14.098 -6.733 -4.640 1.00 0.31 H new ATOM 0 HB3 SER A 47 15.554 -6.398 -3.723 1.00 0.31 H new ATOM 0 HG SER A 47 15.801 -8.234 -5.124 1.00 1.19 H new ATOM 317 N ILE A 48 12.221 -5.802 -1.729 1.00 0.17 N ATOM 318 CA ILE A 48 11.709 -4.537 -1.201 1.00 0.15 C ATOM 319 C ILE A 48 12.460 -4.168 0.086 1.00 0.17 C ATOM 320 O ILE A 48 12.743 -5.036 0.911 1.00 0.20 O ATOM 321 CB ILE A 48 10.173 -4.593 -0.957 1.00 0.17 C ATOM 322 CG1 ILE A 48 9.436 -4.883 -2.271 1.00 0.18 C ATOM 323 CG2 ILE A 48 9.664 -3.297 -0.351 1.00 0.18 C ATOM 324 CD1 ILE A 48 8.283 -3.944 -2.574 1.00 0.21 C ATOM 0 H ILE A 48 11.524 -6.541 -1.819 1.00 0.17 H new ATOM 0 HA ILE A 48 11.883 -3.761 -1.947 1.00 0.15 H new ATOM 0 HB ILE A 48 9.976 -5.399 -0.250 1.00 0.17 H new ATOM 0 HG12 ILE A 48 10.152 -4.833 -3.091 1.00 0.18 H new ATOM 0 HG13 ILE A 48 9.056 -5.904 -2.241 1.00 0.18 H new ATOM 0 HG21 ILE A 48 8.588 -3.367 -0.193 1.00 0.18 H new ATOM 0 HG22 ILE A 48 10.161 -3.122 0.603 1.00 0.18 H new ATOM 0 HG23 ILE A 48 9.878 -2.470 -1.028 1.00 0.18 H new ATOM 0 HD11 ILE A 48 7.823 -4.226 -3.521 1.00 0.21 H new ATOM 0 HD12 ILE A 48 7.542 -4.009 -1.777 1.00 0.21 H new ATOM 0 HD13 ILE A 48 8.655 -2.922 -2.641 1.00 0.21 H new ATOM 336 N PRO A 49 12.816 -2.872 0.233 1.00 0.16 N ATOM 337 CA PRO A 49 13.726 -2.353 1.268 1.00 0.19 C ATOM 338 C PRO A 49 13.519 -2.833 2.698 1.00 0.15 C ATOM 339 O PRO A 49 12.545 -3.507 3.025 1.00 0.21 O ATOM 340 CB PRO A 49 13.500 -0.839 1.239 1.00 0.26 C ATOM 341 CG PRO A 49 12.389 -0.615 0.296 1.00 0.17 C ATOM 342 CD PRO A 49 12.384 -1.781 -0.637 1.00 0.16 C ATOM 0 HA PRO A 49 14.727 -2.710 1.026 1.00 0.19 H new ATOM 0 HB2 PRO A 49 13.252 -0.462 2.231 1.00 0.26 H new ATOM 0 HB3 PRO A 49 14.399 -0.316 0.914 1.00 0.26 H new ATOM 0 HG2 PRO A 49 11.440 -0.538 0.826 1.00 0.17 H new ATOM 0 HG3 PRO A 49 12.526 0.318 -0.250 1.00 0.17 H new ATOM 0 HD2 PRO A 49 11.395 -1.962 -1.057 1.00 0.16 H new ATOM 0 HD3 PRO A 49 13.065 -1.635 -1.476 1.00 0.16 H new ATOM 350 N ASN A 50 14.458 -2.401 3.539 1.00 0.17 N ATOM 351 CA ASN A 50 14.521 -2.756 4.953 1.00 0.22 C ATOM 352 C ASN A 50 13.136 -2.787 5.599 1.00 0.22 C ATOM 353 O ASN A 50 12.746 -3.793 6.198 1.00 0.34 O ATOM 354 CB ASN A 50 15.412 -1.740 5.681 1.00 0.35 C ATOM 355 CG ASN A 50 15.874 -2.234 7.038 1.00 0.58 C ATOM 356 OD1 ASN A 50 16.049 -3.433 7.255 1.00 1.23 O ATOM 357 ND2 ASN A 50 16.088 -1.312 7.962 1.00 0.83 N ATOM 0 H ASN A 50 15.213 -1.780 3.247 1.00 0.17 H new ATOM 0 HA ASN A 50 14.939 -3.759 5.035 1.00 0.22 H new ATOM 0 HB2 ASN A 50 16.283 -1.518 5.064 1.00 0.35 H new ATOM 0 HB3 ASN A 50 14.864 -0.806 5.806 1.00 0.35 H new ATOM 0 HD21 ASN A 50 16.409 -1.586 8.891 1.00 0.83 H new ATOM 0 HD22 ASN A 50 15.932 -0.327 7.746 1.00 0.83 H new ATOM 364 N ASP A 51 12.383 -1.703 5.424 1.00 0.24 N ATOM 365 CA ASP A 51 11.068 -1.560 6.047 1.00 0.34 C ATOM 366 C ASP A 51 10.417 -0.264 5.593 1.00 0.27 C ATOM 367 O ASP A 51 10.876 0.830 5.927 1.00 0.36 O ATOM 368 CB ASP A 51 11.173 -1.584 7.579 1.00 0.51 C ATOM 369 CG ASP A 51 9.818 -1.494 8.265 1.00 1.20 C ATOM 370 OD1 ASP A 51 9.007 -2.440 8.131 1.00 1.90 O ATOM 371 OD2 ASP A 51 9.560 -0.485 8.953 1.00 1.23 O ATOM 0 H ASP A 51 12.663 -0.906 4.852 1.00 0.24 H new ATOM 0 HA ASP A 51 10.452 -2.404 5.736 1.00 0.34 H new ATOM 0 HB2 ASP A 51 11.672 -2.502 7.890 1.00 0.51 H new ATOM 0 HB3 ASP A 51 11.798 -0.754 7.909 1.00 0.51 H new ATOM 376 N LEU A 52 9.381 -0.395 4.787 1.00 0.22 N ATOM 377 CA LEU A 52 8.621 0.757 4.323 1.00 0.17 C ATOM 378 C LEU A 52 7.340 0.903 5.122 1.00 0.19 C ATOM 379 O LEU A 52 6.672 -0.087 5.432 1.00 0.25 O ATOM 380 CB LEU A 52 8.273 0.619 2.841 1.00 0.18 C ATOM 381 CG LEU A 52 9.463 0.501 1.899 1.00 0.14 C ATOM 382 CD1 LEU A 52 8.987 0.195 0.488 1.00 0.17 C ATOM 383 CD2 LEU A 52 10.298 1.775 1.913 1.00 0.15 C ATOM 0 H LEU A 52 9.043 -1.291 4.437 1.00 0.22 H new ATOM 0 HA LEU A 52 9.241 1.642 4.463 1.00 0.17 H new ATOM 0 HB2 LEU A 52 7.642 -0.261 2.714 1.00 0.18 H new ATOM 0 HB3 LEU A 52 7.679 1.483 2.543 1.00 0.18 H new ATOM 0 HG LEU A 52 10.092 -0.319 2.244 1.00 0.14 H new ATOM 0 HD11 LEU A 52 9.847 0.113 -0.176 1.00 0.17 H new ATOM 0 HD12 LEU A 52 8.436 -0.745 0.486 1.00 0.17 H new ATOM 0 HD13 LEU A 52 8.336 0.998 0.141 1.00 0.17 H new ATOM 0 HD21 LEU A 52 11.142 1.665 1.232 1.00 0.15 H new ATOM 0 HD22 LEU A 52 9.683 2.617 1.595 1.00 0.15 H new ATOM 0 HD23 LEU A 52 10.668 1.957 2.922 1.00 0.15 H new ATOM 395 N LEU A 53 6.995 2.133 5.443 1.00 0.16 N ATOM 396 CA LEU A 53 5.755 2.408 6.146 1.00 0.18 C ATOM 397 C LEU A 53 4.742 3.033 5.207 1.00 0.17 C ATOM 398 O LEU A 53 4.952 4.122 4.673 1.00 0.17 O ATOM 399 CB LEU A 53 5.989 3.325 7.348 1.00 0.21 C ATOM 400 CG LEU A 53 6.700 2.676 8.533 1.00 0.26 C ATOM 401 CD1 LEU A 53 6.912 3.686 9.644 1.00 0.32 C ATOM 402 CD2 LEU A 53 5.894 1.493 9.041 1.00 0.30 C ATOM 0 H LEU A 53 7.554 2.959 5.229 1.00 0.16 H new ATOM 0 HA LEU A 53 5.364 1.459 6.513 1.00 0.18 H new ATOM 0 HB2 LEU A 53 6.574 4.184 7.020 1.00 0.21 H new ATOM 0 HB3 LEU A 53 5.026 3.706 7.687 1.00 0.21 H new ATOM 0 HG LEU A 53 7.676 2.320 8.202 1.00 0.26 H new ATOM 0 HD11 LEU A 53 7.420 3.206 10.480 1.00 0.32 H new ATOM 0 HD12 LEU A 53 7.521 4.511 9.275 1.00 0.32 H new ATOM 0 HD13 LEU A 53 5.947 4.069 9.977 1.00 0.32 H new ATOM 0 HD21 LEU A 53 6.410 1.037 9.886 1.00 0.30 H new ATOM 0 HD22 LEU A 53 4.908 1.834 9.358 1.00 0.30 H new ATOM 0 HD23 LEU A 53 5.785 0.758 8.244 1.00 0.30 H new ATOM 414 N TRP A 54 3.648 2.333 5.006 1.00 0.18 N ATOM 415 CA TRP A 54 2.559 2.830 4.199 1.00 0.20 C ATOM 416 C TRP A 54 1.488 3.398 5.111 1.00 0.23 C ATOM 417 O TRP A 54 1.097 2.762 6.087 1.00 0.28 O ATOM 418 CB TRP A 54 1.982 1.688 3.352 1.00 0.22 C ATOM 419 CG TRP A 54 0.911 2.096 2.380 1.00 0.24 C ATOM 420 CD1 TRP A 54 -0.225 2.801 2.650 1.00 0.35 C ATOM 421 CD2 TRP A 54 0.857 1.779 0.985 1.00 0.24 C ATOM 422 NE1 TRP A 54 -0.962 2.967 1.509 1.00 0.35 N ATOM 423 CE2 TRP A 54 -0.323 2.344 0.475 1.00 0.26 C ATOM 424 CE3 TRP A 54 1.700 1.082 0.113 1.00 0.34 C ATOM 425 CZ2 TRP A 54 -0.688 2.228 -0.859 1.00 0.27 C ATOM 426 CZ3 TRP A 54 1.334 0.968 -1.212 1.00 0.41 C ATOM 427 CH2 TRP A 54 0.148 1.542 -1.684 1.00 0.35 C ATOM 0 H TRP A 54 3.489 1.404 5.397 1.00 0.18 H new ATOM 0 HA TRP A 54 2.918 3.613 3.532 1.00 0.20 H new ATOM 0 HB2 TRP A 54 2.796 1.220 2.798 1.00 0.22 H new ATOM 0 HB3 TRP A 54 1.575 0.930 4.021 1.00 0.22 H new ATOM 0 HD1 TRP A 54 -0.503 3.175 3.624 1.00 0.35 H new ATOM 0 HE1 TRP A 54 -1.845 3.474 1.442 1.00 0.35 H new ATOM 0 HE3 TRP A 54 2.619 0.642 0.470 1.00 0.34 H new ATOM 0 HZ2 TRP A 54 -1.603 2.667 -1.229 1.00 0.27 H new ATOM 0 HZ3 TRP A 54 1.972 0.428 -1.896 1.00 0.41 H new ATOM 0 HH2 TRP A 54 -0.109 1.438 -2.728 1.00 0.35 H new ATOM 438 N SER A 55 1.036 4.597 4.820 1.00 0.26 N ATOM 439 CA SER A 55 -0.093 5.155 5.520 1.00 0.33 C ATOM 440 C SER A 55 -1.020 5.813 4.522 1.00 0.25 C ATOM 441 O SER A 55 -0.649 6.794 3.871 1.00 0.22 O ATOM 442 CB SER A 55 0.375 6.168 6.566 1.00 0.44 C ATOM 443 OG SER A 55 1.247 5.563 7.506 1.00 1.11 O ATOM 0 H SER A 55 1.435 5.203 4.103 1.00 0.26 H new ATOM 0 HA SER A 55 -0.628 4.359 6.038 1.00 0.33 H new ATOM 0 HB2 SER A 55 0.884 6.996 6.073 1.00 0.44 H new ATOM 0 HB3 SER A 55 -0.488 6.587 7.083 1.00 0.44 H new ATOM 0 HG SER A 55 0.778 4.836 7.967 1.00 1.11 H new ATOM 449 N PHE A 56 -2.212 5.262 4.361 1.00 0.30 N ATOM 450 CA PHE A 56 -3.204 5.920 3.543 1.00 0.28 C ATOM 451 C PHE A 56 -3.656 7.151 4.288 1.00 0.27 C ATOM 452 O PHE A 56 -4.193 7.047 5.390 1.00 0.39 O ATOM 453 CB PHE A 56 -4.427 5.034 3.303 1.00 0.40 C ATOM 454 CG PHE A 56 -4.159 3.688 2.692 1.00 0.30 C ATOM 455 CD1 PHE A 56 -3.631 2.662 3.452 1.00 0.29 C ATOM 456 CD2 PHE A 56 -4.399 3.462 1.350 1.00 0.34 C ATOM 457 CE1 PHE A 56 -3.351 1.435 2.882 1.00 0.30 C ATOM 458 CE2 PHE A 56 -4.126 2.234 0.775 1.00 0.34 C ATOM 459 CZ PHE A 56 -3.725 1.176 1.584 1.00 0.27 C ATOM 0 H PHE A 56 -2.508 4.379 4.778 1.00 0.30 H new ATOM 0 HA PHE A 56 -2.762 6.154 2.575 1.00 0.28 H new ATOM 0 HB2 PHE A 56 -4.934 4.883 4.256 1.00 0.40 H new ATOM 0 HB3 PHE A 56 -5.119 5.573 2.656 1.00 0.40 H new ATOM 0 HD1 PHE A 56 -3.435 2.821 4.502 1.00 0.29 H new ATOM 0 HD2 PHE A 56 -4.806 4.256 0.741 1.00 0.34 H new ATOM 0 HE1 PHE A 56 -2.838 0.678 3.456 1.00 0.30 H new ATOM 0 HE2 PHE A 56 -4.223 2.098 -0.292 1.00 0.34 H new ATOM 0 HZ PHE A 56 -3.708 0.167 1.199 1.00 0.27 H new ATOM 469 N ASN A 57 -3.462 8.303 3.698 1.00 0.24 N ATOM 470 CA ASN A 57 -3.887 9.529 4.331 1.00 0.31 C ATOM 471 C ASN A 57 -5.280 9.867 3.847 1.00 0.33 C ATOM 472 O ASN A 57 -5.452 10.498 2.819 1.00 0.41 O ATOM 473 CB ASN A 57 -2.910 10.662 4.009 1.00 0.45 C ATOM 474 CG ASN A 57 -3.146 11.901 4.850 1.00 1.09 C ATOM 475 OD1 ASN A 57 -4.275 12.215 5.230 1.00 2.12 O ATOM 476 ND2 ASN A 57 -2.070 12.605 5.156 1.00 1.16 N ATOM 0 H ASN A 57 -3.016 8.420 2.788 1.00 0.24 H new ATOM 0 HA ASN A 57 -3.900 9.401 5.413 1.00 0.31 H new ATOM 0 HB2 ASN A 57 -1.890 10.311 4.166 1.00 0.45 H new ATOM 0 HB3 ASN A 57 -2.998 10.923 2.954 1.00 0.45 H new ATOM 0 HD21 ASN A 57 -2.156 13.445 5.728 1.00 1.16 H new ATOM 0 HD22 ASN A 57 -1.154 12.308 4.820 1.00 1.16 H new ATOM 483 N THR A 58 -6.270 9.463 4.610 1.00 0.34 N ATOM 484 CA THR A 58 -7.655 9.653 4.226 1.00 0.40 C ATOM 485 C THR A 58 -8.176 10.987 4.747 1.00 0.48 C ATOM 486 O THR A 58 -9.351 11.321 4.593 1.00 0.61 O ATOM 487 CB THR A 58 -8.505 8.496 4.773 1.00 0.40 C ATOM 488 OG1 THR A 58 -8.206 8.293 6.162 1.00 0.43 O ATOM 489 CG2 THR A 58 -8.238 7.212 3.992 1.00 0.48 C ATOM 0 H THR A 58 -6.142 8.997 5.508 1.00 0.34 H new ATOM 0 HA THR A 58 -7.723 9.663 3.138 1.00 0.40 H new ATOM 0 HB THR A 58 -9.558 8.754 4.660 1.00 0.40 H new ATOM 0 HG1 THR A 58 -8.750 7.556 6.509 1.00 0.43 H new ATOM 0 HG21 THR A 58 -8.850 6.406 4.396 1.00 0.48 H new ATOM 0 HG22 THR A 58 -8.488 7.366 2.942 1.00 0.48 H new ATOM 0 HG23 THR A 58 -7.185 6.946 4.079 1.00 0.48 H new ATOM 497 N THR A 59 -7.274 11.747 5.351 1.00 0.50 N ATOM 498 CA THR A 59 -7.597 13.035 5.907 1.00 0.63 C ATOM 499 C THR A 59 -7.612 14.103 4.810 1.00 0.67 C ATOM 500 O THR A 59 -8.482 14.974 4.790 1.00 0.77 O ATOM 501 CB THR A 59 -6.571 13.373 7.001 1.00 0.74 C ATOM 502 OG1 THR A 59 -6.716 12.463 8.098 1.00 0.86 O ATOM 503 CG2 THR A 59 -6.712 14.802 7.484 1.00 0.90 C ATOM 0 H THR A 59 -6.297 11.479 5.465 1.00 0.50 H new ATOM 0 HA THR A 59 -8.593 13.009 6.349 1.00 0.63 H new ATOM 0 HB THR A 59 -5.575 13.271 6.570 1.00 0.74 H new ATOM 0 HG1 THR A 59 -6.059 12.680 8.792 1.00 0.86 H new ATOM 0 HG21 THR A 59 -5.969 15.000 8.256 1.00 0.90 H new ATOM 0 HG22 THR A 59 -6.558 15.485 6.649 1.00 0.90 H new ATOM 0 HG23 THR A 59 -7.711 14.950 7.895 1.00 0.90 H new ATOM 511 N ASN A 60 -6.667 14.012 3.878 1.00 0.65 N ATOM 512 CA ASN A 60 -6.683 14.873 2.696 1.00 0.74 C ATOM 513 C ASN A 60 -6.709 14.009 1.443 1.00 0.72 C ATOM 514 O ASN A 60 -6.519 14.484 0.324 1.00 0.84 O ATOM 515 CB ASN A 60 -5.486 15.841 2.673 1.00 0.86 C ATOM 516 CG ASN A 60 -4.151 15.157 2.434 1.00 1.17 C ATOM 517 OD1 ASN A 60 -3.716 15.114 1.183 1.00 1.99 O flip ATOM 518 ND2 ASN A 60 -3.502 14.693 3.369 1.00 1.69 N flip ATOM 0 H ASN A 60 -5.886 13.357 3.916 1.00 0.65 H new ATOM 0 HA ASN A 60 -7.582 15.488 2.731 1.00 0.74 H new ATOM 0 HB2 ASN A 60 -5.647 16.585 1.893 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -5.445 16.376 3.622 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -3.869 14.744 4.319 1.00 1.69 H new ATOM 0 HD22 ASN A 60 -2.597 14.257 3.195 1.00 1.69 H new ATOM 525 N LYS A 61 -6.986 12.727 1.680 1.00 0.64 N ATOM 526 CA LYS A 61 -7.024 11.693 0.650 1.00 0.66 C ATOM 527 C LYS A 61 -5.742 11.681 -0.181 1.00 0.65 C ATOM 528 O LYS A 61 -5.707 12.123 -1.326 1.00 0.94 O ATOM 529 CB LYS A 61 -8.261 11.816 -0.237 1.00 0.84 C ATOM 530 CG LYS A 61 -9.583 11.720 0.522 1.00 0.96 C ATOM 531 CD LYS A 61 -10.024 13.055 1.099 1.00 0.99 C ATOM 532 CE LYS A 61 -10.328 14.057 0.003 1.00 1.06 C ATOM 533 NZ LYS A 61 -10.869 15.328 0.545 1.00 1.65 N ATOM 0 H LYS A 61 -7.194 12.372 2.613 1.00 0.64 H new ATOM 0 HA LYS A 61 -7.092 10.734 1.165 1.00 0.66 H new ATOM 0 HB2 LYS A 61 -8.225 12.770 -0.763 1.00 0.84 H new ATOM 0 HB3 LYS A 61 -8.231 11.033 -0.995 1.00 0.84 H new ATOM 0 HG2 LYS A 61 -10.356 11.345 -0.149 1.00 0.96 H new ATOM 0 HG3 LYS A 61 -9.482 10.995 1.330 1.00 0.96 H new ATOM 0 HD2 LYS A 61 -10.909 12.911 1.718 1.00 0.99 H new ATOM 0 HD3 LYS A 61 -9.242 13.449 1.748 1.00 0.99 H new ATOM 0 HE2 LYS A 61 -9.419 14.262 -0.563 1.00 1.06 H new ATOM 0 HE3 LYS A 61 -11.047 13.625 -0.694 1.00 1.06 H new ATOM 0 HZ1 LYS A 61 -11.063 15.985 -0.238 1.00 1.65 H new ATOM 0 HZ2 LYS A 61 -11.750 15.137 1.063 1.00 1.65 H new ATOM 0 HZ3 LYS A 61 -10.173 15.754 1.190 1.00 1.65 H new ATOM 547 N SER A 62 -4.702 11.142 0.430 1.00 0.41 N ATOM 548 CA SER A 62 -3.381 11.054 -0.156 1.00 0.38 C ATOM 549 C SER A 62 -2.777 9.696 0.183 1.00 0.35 C ATOM 550 O SER A 62 -3.215 9.033 1.122 1.00 0.50 O ATOM 551 CB SER A 62 -2.503 12.180 0.404 1.00 0.47 C ATOM 552 OG SER A 62 -1.188 12.146 -0.118 1.00 1.28 O ATOM 0 H SER A 62 -4.756 10.745 1.368 1.00 0.41 H new ATOM 0 HA SER A 62 -3.442 11.159 -1.239 1.00 0.38 H new ATOM 0 HB2 SER A 62 -2.959 13.143 0.172 1.00 0.47 H new ATOM 0 HB3 SER A 62 -2.462 12.100 1.490 1.00 0.47 H new ATOM 0 HG SER A 62 -1.224 12.155 -1.097 1.00 1.28 H new ATOM 558 N ILE A 63 -1.790 9.274 -0.579 1.00 0.36 N ATOM 559 CA ILE A 63 -1.059 8.063 -0.250 1.00 0.33 C ATOM 560 C ILE A 63 0.311 8.450 0.264 1.00 0.35 C ATOM 561 O ILE A 63 1.134 8.966 -0.489 1.00 0.54 O ATOM 562 CB ILE A 63 -0.847 7.090 -1.436 1.00 0.34 C ATOM 563 CG1 ILE A 63 -2.042 7.063 -2.407 1.00 0.37 C ATOM 564 CG2 ILE A 63 -0.560 5.697 -0.893 1.00 0.39 C ATOM 565 CD1 ILE A 63 -2.188 5.753 -3.150 1.00 1.11 C ATOM 0 H ILE A 63 -1.475 9.747 -1.426 1.00 0.36 H new ATOM 0 HA ILE A 63 -1.668 7.541 0.488 1.00 0.33 H new ATOM 0 HB ILE A 63 0.005 7.448 -2.015 1.00 0.34 H new ATOM 0 HG12 ILE A 63 -2.958 7.259 -1.849 1.00 0.37 H new ATOM 0 HG13 ILE A 63 -1.930 7.871 -3.130 1.00 0.37 H new ATOM 0 HG21 ILE A 63 -0.410 5.007 -1.723 1.00 0.39 H new ATOM 0 HG22 ILE A 63 0.339 5.725 -0.277 1.00 0.39 H new ATOM 0 HG23 ILE A 63 -1.403 5.361 -0.290 1.00 0.39 H new ATOM 0 HD11 ILE A 63 -3.050 5.806 -3.815 1.00 1.11 H new ATOM 0 HD12 ILE A 63 -1.288 5.565 -3.736 1.00 1.11 H new ATOM 0 HD13 ILE A 63 -2.331 4.943 -2.435 1.00 1.11 H new ATOM 577 N ASN A 64 0.558 8.226 1.539 1.00 0.25 N ATOM 578 CA ASN A 64 1.842 8.567 2.114 1.00 0.25 C ATOM 579 C ASN A 64 2.633 7.312 2.434 1.00 0.21 C ATOM 580 O ASN A 64 2.394 6.646 3.439 1.00 0.24 O ATOM 581 CB ASN A 64 1.677 9.434 3.358 1.00 0.34 C ATOM 582 CG ASN A 64 1.171 10.832 3.035 1.00 0.57 C ATOM 583 OD1 ASN A 64 0.487 11.463 3.847 1.00 1.22 O ATOM 584 ND2 ASN A 64 1.503 11.331 1.850 1.00 0.53 N ATOM 0 H ASN A 64 -0.108 7.813 2.192 1.00 0.25 H new ATOM 0 HA ASN A 64 2.398 9.146 1.376 1.00 0.25 H new ATOM 0 HB2 ASN A 64 0.982 8.950 4.044 1.00 0.34 H new ATOM 0 HB3 ASN A 64 2.634 9.508 3.874 1.00 0.34 H new ATOM 0 HD21 ASN A 64 1.191 12.265 1.585 1.00 0.53 H new ATOM 0 HD22 ASN A 64 2.070 10.780 1.205 1.00 0.53 H new ATOM 591 N VAL A 65 3.555 6.979 1.547 1.00 0.20 N ATOM 592 CA VAL A 65 4.429 5.837 1.742 1.00 0.18 C ATOM 593 C VAL A 65 5.818 6.331 2.100 1.00 0.20 C ATOM 594 O VAL A 65 6.477 6.980 1.290 1.00 0.25 O ATOM 595 CB VAL A 65 4.523 4.965 0.478 1.00 0.18 C ATOM 596 CG1 VAL A 65 5.192 3.639 0.798 1.00 0.18 C ATOM 597 CG2 VAL A 65 3.151 4.753 -0.147 1.00 0.19 C ATOM 0 H VAL A 65 3.718 7.488 0.678 1.00 0.20 H new ATOM 0 HA VAL A 65 4.012 5.229 2.544 1.00 0.18 H new ATOM 0 HB VAL A 65 5.137 5.489 -0.254 1.00 0.18 H new ATOM 0 HG11 VAL A 65 5.251 3.034 -0.106 1.00 0.18 H new ATOM 0 HG12 VAL A 65 6.197 3.821 1.179 1.00 0.18 H new ATOM 0 HG13 VAL A 65 4.609 3.110 1.552 1.00 0.18 H new ATOM 0 HG21 VAL A 65 3.249 4.133 -1.038 1.00 0.19 H new ATOM 0 HG22 VAL A 65 2.497 4.257 0.570 1.00 0.19 H new ATOM 0 HG23 VAL A 65 2.723 5.717 -0.421 1.00 0.19 H new ATOM 607 N TYR A 66 6.263 6.035 3.306 1.00 0.19 N ATOM 608 CA TYR A 66 7.500 6.602 3.805 1.00 0.21 C ATOM 609 C TYR A 66 8.309 5.604 4.621 1.00 0.21 C ATOM 610 O TYR A 66 7.795 4.617 5.126 1.00 0.24 O ATOM 611 CB TYR A 66 7.210 7.857 4.641 1.00 0.27 C ATOM 612 CG TYR A 66 6.137 7.671 5.692 1.00 0.31 C ATOM 613 CD1 TYR A 66 4.800 7.908 5.402 1.00 0.33 C ATOM 614 CD2 TYR A 66 6.465 7.254 6.977 1.00 0.40 C ATOM 615 CE1 TYR A 66 3.822 7.737 6.365 1.00 0.43 C ATOM 616 CE2 TYR A 66 5.493 7.081 7.943 1.00 0.50 C ATOM 617 CZ TYR A 66 4.155 7.336 7.614 1.00 0.51 C ATOM 618 OH TYR A 66 3.208 7.156 8.595 1.00 0.63 O ATOM 0 H TYR A 66 5.789 5.408 3.956 1.00 0.19 H new ATOM 0 HA TYR A 66 8.102 6.873 2.937 1.00 0.21 H new ATOM 0 HB2 TYR A 66 8.131 8.174 5.131 1.00 0.27 H new ATOM 0 HB3 TYR A 66 6.911 8.664 3.972 1.00 0.27 H new ATOM 0 HD1 TYR A 66 4.520 8.231 4.410 1.00 0.33 H new ATOM 0 HD2 TYR A 66 7.499 7.062 7.224 1.00 0.40 H new ATOM 0 HE1 TYR A 66 2.787 7.924 6.119 1.00 0.43 H new ATOM 0 HE2 TYR A 66 5.760 6.754 8.937 1.00 0.50 H new ATOM 0 HH TYR A 66 2.484 6.592 8.251 1.00 0.63 H new ATOM 628 N SER A 67 9.588 5.879 4.712 1.00 0.21 N ATOM 629 CA SER A 67 10.513 5.123 5.525 1.00 0.24 C ATOM 630 C SER A 67 11.549 6.092 6.068 1.00 0.28 C ATOM 631 O SER A 67 11.366 7.306 5.954 1.00 0.30 O ATOM 632 CB SER A 67 11.192 4.004 4.727 1.00 0.26 C ATOM 633 OG SER A 67 12.065 4.526 3.731 1.00 0.29 O ATOM 0 H SER A 67 10.026 6.653 4.212 1.00 0.21 H new ATOM 0 HA SER A 67 9.970 4.640 6.338 1.00 0.24 H new ATOM 0 HB2 SER A 67 11.755 3.363 5.405 1.00 0.26 H new ATOM 0 HB3 SER A 67 10.433 3.380 4.255 1.00 0.26 H new ATOM 0 HG SER A 67 12.483 3.787 3.242 1.00 0.29 H new ATOM 639 N LYS A 68 12.611 5.577 6.663 1.00 0.33 N ATOM 640 CA LYS A 68 13.685 6.417 7.174 1.00 0.38 C ATOM 641 C LYS A 68 14.251 7.298 6.052 1.00 0.36 C ATOM 642 O LYS A 68 14.797 8.372 6.301 1.00 0.42 O ATOM 643 CB LYS A 68 14.809 5.545 7.751 1.00 0.47 C ATOM 644 CG LYS A 68 14.347 4.211 8.332 1.00 0.63 C ATOM 645 CD LYS A 68 13.265 4.371 9.390 1.00 1.00 C ATOM 646 CE LYS A 68 13.790 5.003 10.668 1.00 1.58 C ATOM 647 NZ LYS A 68 12.721 5.114 11.694 1.00 2.03 N ATOM 0 H LYS A 68 12.755 4.577 6.805 1.00 0.33 H new ATOM 0 HA LYS A 68 13.280 7.053 7.961 1.00 0.38 H new ATOM 0 HB2 LYS A 68 15.539 5.350 6.965 1.00 0.47 H new ATOM 0 HB3 LYS A 68 15.322 6.107 8.531 1.00 0.47 H new ATOM 0 HG2 LYS A 68 13.971 3.580 7.527 1.00 0.63 H new ATOM 0 HG3 LYS A 68 15.202 3.695 8.769 1.00 0.63 H new ATOM 0 HD2 LYS A 68 12.458 4.985 8.990 1.00 1.00 H new ATOM 0 HD3 LYS A 68 12.839 3.394 9.620 1.00 1.00 H new ATOM 0 HE2 LYS A 68 14.613 4.405 11.060 1.00 1.58 H new ATOM 0 HE3 LYS A 68 14.191 5.993 10.449 1.00 1.58 H new ATOM 0 HZ1 LYS A 68 13.110 5.549 12.555 1.00 2.03 H new ATOM 0 HZ2 LYS A 68 11.947 5.704 11.327 1.00 2.03 H new ATOM 0 HZ3 LYS A 68 12.356 4.166 11.919 1.00 2.03 H new ATOM 661 N CYS A 69 14.088 6.840 4.815 1.00 0.36 N ATOM 662 CA CYS A 69 14.667 7.515 3.658 1.00 0.37 C ATOM 663 C CYS A 69 13.593 8.057 2.704 1.00 0.41 C ATOM 664 O CYS A 69 13.587 9.248 2.376 1.00 0.74 O ATOM 665 CB CYS A 69 15.573 6.540 2.915 1.00 0.38 C ATOM 666 SG CYS A 69 16.855 5.771 3.957 1.00 0.38 S ATOM 0 H CYS A 69 13.557 6.000 4.587 1.00 0.36 H new ATOM 0 HA CYS A 69 15.240 8.370 4.018 1.00 0.37 H new ATOM 0 HB2 CYS A 69 14.959 5.754 2.474 1.00 0.38 H new ATOM 0 HB3 CYS A 69 16.057 7.066 2.092 1.00 0.38 H new ATOM 671 N ILE A 70 12.688 7.190 2.255 1.00 0.25 N ATOM 672 CA ILE A 70 11.679 7.585 1.273 1.00 0.22 C ATOM 673 C ILE A 70 10.495 8.248 1.971 1.00 0.23 C ATOM 674 O ILE A 70 10.225 7.976 3.137 1.00 0.27 O ATOM 675 CB ILE A 70 11.207 6.374 0.431 1.00 0.20 C ATOM 676 CG1 ILE A 70 10.354 6.825 -0.751 1.00 0.20 C ATOM 677 CG2 ILE A 70 10.436 5.371 1.274 1.00 0.22 C ATOM 678 CD1 ILE A 70 10.277 5.793 -1.842 1.00 0.23 C ATOM 0 H ILE A 70 12.632 6.216 2.552 1.00 0.25 H new ATOM 0 HA ILE A 70 12.134 8.304 0.592 1.00 0.22 H new ATOM 0 HB ILE A 70 12.102 5.883 0.050 1.00 0.20 H new ATOM 0 HG12 ILE A 70 9.347 7.052 -0.401 1.00 0.20 H new ATOM 0 HG13 ILE A 70 10.766 7.748 -1.159 1.00 0.20 H new ATOM 0 HG21 ILE A 70 10.121 4.536 0.648 1.00 0.22 H new ATOM 0 HG22 ILE A 70 11.075 5.003 2.077 1.00 0.22 H new ATOM 0 HG23 ILE A 70 9.558 5.854 1.702 1.00 0.22 H new ATOM 0 HD11 ILE A 70 9.657 6.169 -2.656 1.00 0.23 H new ATOM 0 HD12 ILE A 70 11.279 5.583 -2.216 1.00 0.23 H new ATOM 0 HD13 ILE A 70 9.839 4.877 -1.446 1.00 0.23 H new ATOM 690 N SER A 71 9.820 9.133 1.264 1.00 0.24 N ATOM 691 CA SER A 71 8.672 9.842 1.807 1.00 0.28 C ATOM 692 C SER A 71 7.774 10.264 0.656 1.00 0.29 C ATOM 693 O SER A 71 8.094 11.195 -0.083 1.00 0.39 O ATOM 694 CB SER A 71 9.123 11.062 2.620 1.00 0.42 C ATOM 695 OG SER A 71 8.032 11.665 3.300 1.00 1.12 O ATOM 0 H SER A 71 10.048 9.382 0.302 1.00 0.24 H new ATOM 0 HA SER A 71 8.120 9.186 2.480 1.00 0.28 H new ATOM 0 HB2 SER A 71 9.881 10.759 3.342 1.00 0.42 H new ATOM 0 HB3 SER A 71 9.588 11.791 1.957 1.00 0.42 H new ATOM 0 HG SER A 71 8.352 12.438 3.810 1.00 1.12 H new ATOM 701 N GLY A 72 6.673 9.555 0.484 1.00 0.30 N ATOM 702 CA GLY A 72 5.862 9.747 -0.690 1.00 0.42 C ATOM 703 C GLY A 72 4.511 10.350 -0.428 1.00 0.31 C ATOM 704 O GLY A 72 3.792 9.929 0.472 1.00 0.40 O ATOM 0 H GLY A 72 6.328 8.851 1.137 1.00 0.30 H new ATOM 0 HA2 GLY A 72 6.402 10.388 -1.387 1.00 0.42 H new ATOM 0 HA3 GLY A 72 5.726 8.784 -1.182 1.00 0.42 H new ATOM 708 N LYS A 73 4.187 11.355 -1.215 1.00 0.24 N ATOM 709 CA LYS A 73 2.840 11.863 -1.289 1.00 0.23 C ATOM 710 C LYS A 73 2.223 11.372 -2.586 1.00 0.21 C ATOM 711 O LYS A 73 2.917 11.198 -3.586 1.00 0.27 O ATOM 712 CB LYS A 73 2.830 13.390 -1.246 1.00 0.35 C ATOM 713 CG LYS A 73 1.444 14.012 -1.226 1.00 1.00 C ATOM 714 CD LYS A 73 1.288 15.020 -2.340 1.00 0.70 C ATOM 715 CE LYS A 73 1.076 14.320 -3.656 1.00 0.43 C ATOM 716 NZ LYS A 73 0.745 15.265 -4.756 1.00 0.64 N ATOM 0 H LYS A 73 4.851 11.839 -1.819 1.00 0.24 H new ATOM 0 HA LYS A 73 2.265 11.506 -0.434 1.00 0.23 H new ATOM 0 HB2 LYS A 73 3.375 13.719 -0.361 1.00 0.35 H new ATOM 0 HB3 LYS A 73 3.372 13.769 -2.113 1.00 0.35 H new ATOM 0 HG2 LYS A 73 0.690 13.232 -1.328 1.00 1.00 H new ATOM 0 HG3 LYS A 73 1.273 14.497 -0.265 1.00 1.00 H new ATOM 0 HD2 LYS A 73 0.443 15.676 -2.130 1.00 0.70 H new ATOM 0 HD3 LYS A 73 2.175 15.651 -2.395 1.00 0.70 H new ATOM 0 HE2 LYS A 73 1.976 13.764 -3.917 1.00 0.43 H new ATOM 0 HE3 LYS A 73 0.271 13.592 -3.552 1.00 0.43 H new ATOM 0 HZ1 LYS A 73 0.609 14.735 -5.640 1.00 0.64 H new ATOM 0 HZ2 LYS A 73 -0.129 15.778 -4.522 1.00 0.64 H new ATOM 0 HZ3 LYS A 73 1.523 15.944 -4.876 1.00 0.64 H new ATOM 730 N ALA A 74 0.933 11.156 -2.560 1.00 0.21 N ATOM 731 CA ALA A 74 0.204 10.658 -3.717 1.00 0.22 C ATOM 732 C ALA A 74 -1.269 10.917 -3.521 1.00 0.26 C ATOM 733 O ALA A 74 -1.692 11.205 -2.419 1.00 0.41 O ATOM 734 CB ALA A 74 0.450 9.166 -3.902 1.00 0.23 C ATOM 0 H ALA A 74 0.350 11.318 -1.739 1.00 0.21 H new ATOM 0 HA ALA A 74 0.553 11.176 -4.610 1.00 0.22 H new ATOM 0 HB1 ALA A 74 -0.103 8.811 -4.772 1.00 0.23 H new ATOM 0 HB2 ALA A 74 1.515 8.989 -4.052 1.00 0.23 H new ATOM 0 HB3 ALA A 74 0.114 8.629 -3.015 1.00 0.23 H new ATOM 740 N VAL A 75 -2.047 10.858 -4.574 1.00 0.28 N ATOM 741 CA VAL A 75 -3.488 10.895 -4.430 1.00 0.33 C ATOM 742 C VAL A 75 -4.072 9.650 -5.060 1.00 0.29 C ATOM 743 O VAL A 75 -3.638 9.231 -6.136 1.00 0.29 O ATOM 744 CB VAL A 75 -4.113 12.150 -5.064 1.00 0.43 C ATOM 745 CG1 VAL A 75 -5.625 12.145 -4.914 1.00 0.81 C ATOM 746 CG2 VAL A 75 -3.522 13.410 -4.455 1.00 0.80 C ATOM 0 H VAL A 75 -1.713 10.785 -5.535 1.00 0.28 H new ATOM 0 HA VAL A 75 -3.720 10.933 -3.366 1.00 0.33 H new ATOM 0 HB VAL A 75 -3.880 12.138 -6.129 1.00 0.43 H new ATOM 0 HG11 VAL A 75 -6.039 13.044 -5.371 1.00 0.81 H new ATOM 0 HG12 VAL A 75 -6.037 11.264 -5.407 1.00 0.81 H new ATOM 0 HG13 VAL A 75 -5.886 12.123 -3.856 1.00 0.81 H new ATOM 0 HG21 VAL A 75 -3.978 14.286 -4.917 1.00 0.80 H new ATOM 0 HG22 VAL A 75 -3.718 13.422 -3.383 1.00 0.80 H new ATOM 0 HG23 VAL A 75 -2.446 13.427 -4.627 1.00 0.80 H new ATOM 756 N TYR A 76 -5.039 9.058 -4.392 1.00 0.29 N ATOM 757 CA TYR A 76 -5.553 7.774 -4.812 1.00 0.25 C ATOM 758 C TYR A 76 -6.867 7.898 -5.563 1.00 0.29 C ATOM 759 O TYR A 76 -7.715 8.736 -5.248 1.00 0.42 O ATOM 760 CB TYR A 76 -5.679 6.801 -3.630 1.00 0.29 C ATOM 761 CG TYR A 76 -6.461 7.303 -2.437 1.00 0.38 C ATOM 762 CD1 TYR A 76 -7.849 7.276 -2.438 1.00 0.46 C ATOM 763 CD2 TYR A 76 -5.813 7.831 -1.327 1.00 0.44 C ATOM 764 CE1 TYR A 76 -8.573 7.757 -1.362 1.00 0.57 C ATOM 765 CE2 TYR A 76 -6.530 8.317 -0.249 1.00 0.56 C ATOM 766 CZ TYR A 76 -7.888 8.176 -0.216 1.00 0.64 C ATOM 767 OH TYR A 76 -8.623 8.763 0.798 1.00 0.75 O ATOM 0 H TYR A 76 -5.483 9.444 -3.559 1.00 0.29 H new ATOM 0 HA TYR A 76 -4.824 7.359 -5.508 1.00 0.25 H new ATOM 0 HB2 TYR A 76 -6.149 5.885 -3.988 1.00 0.29 H new ATOM 0 HB3 TYR A 76 -4.676 6.535 -3.296 1.00 0.29 H new ATOM 0 HD1 TYR A 76 -8.372 6.873 -3.293 1.00 0.46 H new ATOM 0 HD2 TYR A 76 -4.734 7.862 -1.306 1.00 0.44 H new ATOM 0 HE1 TYR A 76 -9.651 7.808 -1.406 1.00 0.57 H new ATOM 0 HE2 TYR A 76 -6.017 8.807 0.565 1.00 0.56 H new ATOM 0 HH TYR A 76 -9.395 8.199 1.011 1.00 0.75 H new ATOM 777 N SER A 77 -7.005 7.053 -6.564 1.00 0.25 N ATOM 778 CA SER A 77 -8.183 7.011 -7.405 1.00 0.29 C ATOM 779 C SER A 77 -8.606 5.561 -7.610 1.00 0.23 C ATOM 780 O SER A 77 -7.794 4.649 -7.435 1.00 0.26 O ATOM 781 CB SER A 77 -7.886 7.685 -8.744 1.00 0.39 C ATOM 782 OG SER A 77 -6.669 7.209 -9.299 1.00 0.98 O ATOM 0 H SER A 77 -6.294 6.368 -6.819 1.00 0.25 H new ATOM 0 HA SER A 77 -9.000 7.549 -6.924 1.00 0.29 H new ATOM 0 HB2 SER A 77 -8.704 7.496 -9.439 1.00 0.39 H new ATOM 0 HB3 SER A 77 -7.828 8.765 -8.606 1.00 0.39 H new ATOM 0 HG SER A 77 -6.504 7.655 -10.156 1.00 0.98 H new ATOM 788 N PHE A 78 -9.861 5.342 -7.972 1.00 0.20 N ATOM 789 CA PHE A 78 -10.374 3.986 -8.110 1.00 0.20 C ATOM 790 C PHE A 78 -10.867 3.710 -9.518 1.00 0.22 C ATOM 791 O PHE A 78 -11.470 4.572 -10.162 1.00 0.28 O ATOM 792 CB PHE A 78 -11.509 3.739 -7.119 1.00 0.24 C ATOM 793 CG PHE A 78 -11.058 3.716 -5.695 1.00 0.29 C ATOM 794 CD1 PHE A 78 -10.487 2.575 -5.160 1.00 0.36 C ATOM 795 CD2 PHE A 78 -11.200 4.833 -4.891 1.00 0.37 C ATOM 796 CE1 PHE A 78 -10.065 2.548 -3.849 1.00 0.46 C ATOM 797 CE2 PHE A 78 -10.781 4.814 -3.579 1.00 0.47 C ATOM 798 CZ PHE A 78 -10.213 3.669 -3.057 1.00 0.50 C ATOM 0 H PHE A 78 -10.538 6.078 -8.174 1.00 0.20 H new ATOM 0 HA PHE A 78 -9.547 3.308 -7.897 1.00 0.20 H new ATOM 0 HB2 PHE A 78 -12.264 4.516 -7.241 1.00 0.24 H new ATOM 0 HB3 PHE A 78 -11.988 2.789 -7.356 1.00 0.24 H new ATOM 0 HD1 PHE A 78 -10.371 1.696 -5.777 1.00 0.36 H new ATOM 0 HD2 PHE A 78 -11.644 5.730 -5.297 1.00 0.37 H new ATOM 0 HE1 PHE A 78 -9.620 1.652 -3.442 1.00 0.46 H new ATOM 0 HE2 PHE A 78 -10.896 5.692 -2.961 1.00 0.47 H new ATOM 0 HZ PHE A 78 -9.884 3.650 -2.028 1.00 0.50 H new ATOM 808 N ASN A 79 -10.587 2.506 -9.995 1.00 0.21 N ATOM 809 CA ASN A 79 -11.117 2.038 -11.263 1.00 0.23 C ATOM 810 C ASN A 79 -11.329 0.532 -11.203 1.00 0.26 C ATOM 811 O ASN A 79 -10.365 -0.226 -11.118 1.00 0.31 O ATOM 812 CB ASN A 79 -10.170 2.386 -12.406 1.00 0.31 C ATOM 813 CG ASN A 79 -10.792 2.134 -13.766 1.00 0.45 C ATOM 814 OD1 ASN A 79 -12.003 2.258 -13.941 1.00 0.77 O ATOM 815 ND2 ASN A 79 -9.971 1.769 -14.736 1.00 0.59 N ATOM 0 H ASN A 79 -9.990 1.832 -9.516 1.00 0.21 H new ATOM 0 HA ASN A 79 -12.071 2.532 -11.447 1.00 0.23 H new ATOM 0 HB2 ASN A 79 -9.882 3.434 -12.330 1.00 0.31 H new ATOM 0 HB3 ASN A 79 -9.258 1.797 -12.311 1.00 0.31 H new ATOM 0 HD21 ASN A 79 -10.337 1.579 -15.669 1.00 0.59 H new ATOM 0 HD22 ASN A 79 -8.972 1.677 -14.551 1.00 0.59 H new ATOM 822 N ALA A 80 -12.592 0.115 -11.207 1.00 0.28 N ATOM 823 CA ALA A 80 -12.957 -1.302 -11.162 1.00 0.38 C ATOM 824 C ALA A 80 -12.460 -1.967 -9.879 1.00 0.46 C ATOM 825 O ALA A 80 -12.011 -3.115 -9.894 1.00 0.95 O ATOM 826 CB ALA A 80 -12.421 -2.036 -12.387 1.00 0.45 C ATOM 0 H ALA A 80 -13.392 0.747 -11.241 1.00 0.28 H new ATOM 0 HA ALA A 80 -14.045 -1.363 -11.169 1.00 0.38 H new ATOM 0 HB1 ALA A 80 -12.703 -3.087 -12.334 1.00 0.45 H new ATOM 0 HB2 ALA A 80 -12.841 -1.593 -13.290 1.00 0.45 H new ATOM 0 HB3 ALA A 80 -11.334 -1.953 -12.414 1.00 0.45 H new ATOM 832 N GLY A 81 -12.533 -1.237 -8.773 1.00 0.24 N ATOM 833 CA GLY A 81 -12.081 -1.764 -7.504 1.00 0.21 C ATOM 834 C GLY A 81 -10.579 -1.655 -7.341 1.00 0.21 C ATOM 835 O GLY A 81 -10.034 -1.967 -6.284 1.00 0.31 O ATOM 0 H GLY A 81 -12.899 -0.286 -8.735 1.00 0.24 H new ATOM 0 HA2 GLY A 81 -12.573 -1.226 -6.693 1.00 0.21 H new ATOM 0 HA3 GLY A 81 -12.379 -2.809 -7.420 1.00 0.21 H new ATOM 839 N LYS A 82 -9.905 -1.219 -8.393 1.00 0.19 N ATOM 840 CA LYS A 82 -8.468 -1.074 -8.355 1.00 0.20 C ATOM 841 C LYS A 82 -8.083 0.267 -7.756 1.00 0.20 C ATOM 842 O LYS A 82 -8.471 1.325 -8.256 1.00 0.26 O ATOM 843 CB LYS A 82 -7.879 -1.224 -9.754 1.00 0.23 C ATOM 844 CG LYS A 82 -8.096 -2.602 -10.344 1.00 0.26 C ATOM 845 CD LYS A 82 -7.543 -3.666 -9.418 1.00 0.23 C ATOM 846 CE LYS A 82 -7.725 -5.061 -9.990 1.00 0.41 C ATOM 847 NZ LYS A 82 -9.158 -5.407 -10.197 1.00 1.32 N ATOM 0 H LYS A 82 -10.334 -0.961 -9.281 1.00 0.19 H new ATOM 0 HA LYS A 82 -8.059 -1.862 -7.723 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.326 -0.479 -10.412 1.00 0.23 H new ATOM 0 HB3 LYS A 82 -6.810 -1.015 -9.716 1.00 0.23 H new ATOM 0 HG2 LYS A 82 -9.160 -2.771 -10.508 1.00 0.26 H new ATOM 0 HG3 LYS A 82 -7.609 -2.669 -11.317 1.00 0.26 H new ATOM 0 HD2 LYS A 82 -6.483 -3.480 -9.243 1.00 0.23 H new ATOM 0 HD3 LYS A 82 -8.042 -3.602 -8.451 1.00 0.23 H new ATOM 0 HE2 LYS A 82 -7.196 -5.133 -10.940 1.00 0.41 H new ATOM 0 HE3 LYS A 82 -7.272 -5.789 -9.317 1.00 0.41 H new ATOM 0 HZ1 LYS A 82 -9.241 -6.418 -10.425 1.00 1.32 H new ATOM 0 HZ2 LYS A 82 -9.693 -5.203 -9.329 1.00 1.32 H new ATOM 0 HZ3 LYS A 82 -9.542 -4.842 -10.981 1.00 1.32 H new ATOM 861 N PHE A 83 -7.325 0.198 -6.681 1.00 0.16 N ATOM 862 CA PHE A 83 -6.877 1.367 -5.952 1.00 0.16 C ATOM 863 C PHE A 83 -5.534 1.845 -6.494 1.00 0.16 C ATOM 864 O PHE A 83 -4.574 1.077 -6.587 1.00 0.17 O ATOM 865 CB PHE A 83 -6.807 1.010 -4.454 1.00 0.15 C ATOM 866 CG PHE A 83 -5.783 1.761 -3.649 1.00 0.16 C ATOM 867 CD1 PHE A 83 -6.066 3.010 -3.125 1.00 0.18 C ATOM 868 CD2 PHE A 83 -4.536 1.199 -3.408 1.00 0.19 C ATOM 869 CE1 PHE A 83 -5.124 3.686 -2.377 1.00 0.20 C ATOM 870 CE2 PHE A 83 -3.589 1.873 -2.659 1.00 0.22 C ATOM 871 CZ PHE A 83 -3.886 3.117 -2.146 1.00 0.22 C ATOM 0 H PHE A 83 -6.998 -0.683 -6.284 1.00 0.16 H new ATOM 0 HA PHE A 83 -7.578 2.191 -6.081 1.00 0.16 H new ATOM 0 HB2 PHE A 83 -7.788 1.184 -4.012 1.00 0.15 H new ATOM 0 HB3 PHE A 83 -6.602 -0.057 -4.363 1.00 0.15 H new ATOM 0 HD1 PHE A 83 -7.032 3.459 -3.303 1.00 0.18 H new ATOM 0 HD2 PHE A 83 -4.303 0.224 -3.810 1.00 0.19 H new ATOM 0 HE1 PHE A 83 -5.354 4.660 -1.972 1.00 0.20 H new ATOM 0 HE2 PHE A 83 -2.622 1.427 -2.477 1.00 0.22 H new ATOM 0 HZ PHE A 83 -3.149 3.649 -1.562 1.00 0.22 H new ATOM 881 N MET A 84 -5.485 3.110 -6.881 1.00 0.19 N ATOM 882 CA MET A 84 -4.299 3.673 -7.502 1.00 0.19 C ATOM 883 C MET A 84 -3.768 4.840 -6.696 1.00 0.24 C ATOM 884 O MET A 84 -4.401 5.270 -5.743 1.00 0.44 O ATOM 885 CB MET A 84 -4.628 4.120 -8.923 1.00 0.22 C ATOM 886 CG MET A 84 -5.342 3.052 -9.709 1.00 0.21 C ATOM 887 SD MET A 84 -5.781 3.564 -11.372 1.00 0.25 S ATOM 888 CE MET A 84 -6.436 2.012 -11.953 1.00 0.23 C ATOM 0 H MET A 84 -6.257 3.768 -6.775 1.00 0.19 H new ATOM 0 HA MET A 84 -3.525 2.906 -7.534 1.00 0.19 H new ATOM 0 HB2 MET A 84 -5.248 5.016 -8.885 1.00 0.22 H new ATOM 0 HB3 MET A 84 -3.707 4.392 -9.438 1.00 0.22 H new ATOM 0 HG2 MET A 84 -4.708 2.167 -9.765 1.00 0.21 H new ATOM 0 HG3 MET A 84 -6.247 2.762 -9.175 1.00 0.21 H new ATOM 0 HE1 MET A 84 -6.989 2.174 -12.878 1.00 0.23 H new ATOM 0 HE2 MET A 84 -5.616 1.317 -12.137 1.00 0.23 H new ATOM 0 HE3 MET A 84 -7.104 1.594 -11.200 1.00 0.23 H new ATOM 898 N GLY A 85 -2.605 5.345 -7.081 1.00 0.19 N ATOM 899 CA GLY A 85 -2.014 6.466 -6.381 1.00 0.23 C ATOM 900 C GLY A 85 -0.817 7.030 -7.105 1.00 0.30 C ATOM 901 O GLY A 85 0.249 6.421 -7.110 1.00 0.61 O ATOM 0 H GLY A 85 -2.059 4.997 -7.869 1.00 0.19 H new ATOM 0 HA2 GLY A 85 -2.762 7.249 -6.257 1.00 0.23 H new ATOM 0 HA3 GLY A 85 -1.715 6.150 -5.382 1.00 0.23 H new ATOM 905 N ASN A 86 -0.988 8.186 -7.727 1.00 0.27 N ATOM 906 CA ASN A 86 0.108 8.830 -8.434 1.00 0.30 C ATOM 907 C ASN A 86 0.970 9.602 -7.445 1.00 0.24 C ATOM 908 O ASN A 86 0.490 10.517 -6.775 1.00 0.23 O ATOM 909 CB ASN A 86 -0.413 9.761 -9.528 1.00 0.41 C ATOM 910 CG ASN A 86 0.663 10.101 -10.536 1.00 0.58 C ATOM 911 OD1 ASN A 86 0.843 9.392 -11.525 1.00 1.51 O ATOM 912 ND2 ASN A 86 1.387 11.179 -10.297 1.00 0.93 N ATOM 0 H ASN A 86 -1.871 8.696 -7.757 1.00 0.27 H new ATOM 0 HA ASN A 86 0.712 8.060 -8.914 1.00 0.30 H new ATOM 0 HB2 ASN A 86 -1.253 9.289 -10.038 1.00 0.41 H new ATOM 0 HB3 ASN A 86 -0.790 10.678 -9.076 1.00 0.41 H new ATOM 0 HD21 ASN A 86 2.127 11.450 -10.944 1.00 0.93 H new ATOM 0 HD22 ASN A 86 1.206 11.741 -9.465 1.00 0.93 H new ATOM 919 N PHE A 87 2.244 9.245 -7.377 1.00 0.23 N ATOM 920 CA PHE A 87 3.123 9.717 -6.315 1.00 0.20 C ATOM 921 C PHE A 87 3.960 10.914 -6.733 1.00 0.22 C ATOM 922 O PHE A 87 4.045 11.265 -7.910 1.00 0.30 O ATOM 923 CB PHE A 87 4.061 8.599 -5.861 1.00 0.24 C ATOM 924 CG PHE A 87 3.415 7.567 -4.987 1.00 0.20 C ATOM 925 CD1 PHE A 87 2.787 6.466 -5.538 1.00 0.23 C ATOM 926 CD2 PHE A 87 3.440 7.704 -3.611 1.00 0.23 C ATOM 927 CE1 PHE A 87 2.192 5.516 -4.731 1.00 0.27 C ATOM 928 CE2 PHE A 87 2.850 6.763 -2.796 1.00 0.27 C ATOM 929 CZ PHE A 87 2.221 5.663 -3.356 1.00 0.28 C ATOM 0 H PHE A 87 2.696 8.625 -8.050 1.00 0.23 H new ATOM 0 HA PHE A 87 2.473 10.027 -5.497 1.00 0.20 H new ATOM 0 HB2 PHE A 87 4.472 8.106 -6.742 1.00 0.24 H new ATOM 0 HB3 PHE A 87 4.899 9.041 -5.322 1.00 0.24 H new ATOM 0 HD1 PHE A 87 2.761 6.347 -6.611 1.00 0.23 H new ATOM 0 HD2 PHE A 87 3.929 8.560 -3.170 1.00 0.23 H new ATOM 0 HE1 PHE A 87 1.705 4.660 -5.173 1.00 0.27 H new ATOM 0 HE2 PHE A 87 2.878 6.883 -1.723 1.00 0.27 H new ATOM 0 HZ PHE A 87 1.755 4.923 -2.722 1.00 0.28 H new ATOM 939 N ASN A 88 4.563 11.533 -5.735 1.00 0.21 N ATOM 940 CA ASN A 88 5.541 12.589 -5.926 1.00 0.26 C ATOM 941 C ASN A 88 6.632 12.413 -4.881 1.00 0.27 C ATOM 942 O ASN A 88 7.016 13.347 -4.179 1.00 0.42 O ATOM 943 CB ASN A 88 4.888 13.953 -5.776 1.00 0.34 C ATOM 944 CG ASN A 88 5.783 15.084 -6.246 1.00 1.15 C ATOM 945 OD1 ASN A 88 6.585 14.919 -7.168 1.00 2.02 O ATOM 946 ND2 ASN A 88 5.659 16.236 -5.614 1.00 1.66 N ATOM 0 H ASN A 88 4.385 11.314 -4.755 1.00 0.21 H new ATOM 0 HA ASN A 88 5.963 12.529 -6.929 1.00 0.26 H new ATOM 0 HB2 ASN A 88 3.958 13.971 -6.344 1.00 0.34 H new ATOM 0 HB3 ASN A 88 4.626 14.113 -4.730 1.00 0.34 H new ATOM 0 HD21 ASN A 88 6.239 17.031 -5.884 1.00 1.66 H new ATOM 0 HD22 ASN A 88 4.983 16.332 -4.856 1.00 1.66 H new ATOM 953 N VAL A 89 7.108 11.185 -4.793 1.00 0.24 N ATOM 954 CA VAL A 89 7.934 10.736 -3.673 1.00 0.24 C ATOM 955 C VAL A 89 9.263 11.465 -3.575 1.00 0.30 C ATOM 956 O VAL A 89 9.898 11.788 -4.577 1.00 0.34 O ATOM 957 CB VAL A 89 8.239 9.219 -3.724 1.00 0.24 C ATOM 958 CG1 VAL A 89 8.490 8.686 -2.341 1.00 0.28 C ATOM 959 CG2 VAL A 89 7.128 8.432 -4.410 1.00 0.25 C ATOM 0 H VAL A 89 6.936 10.465 -5.494 1.00 0.24 H new ATOM 0 HA VAL A 89 7.329 10.966 -2.796 1.00 0.24 H new ATOM 0 HB VAL A 89 9.141 9.089 -4.322 1.00 0.24 H new ATOM 0 HG11 VAL A 89 8.703 7.618 -2.396 1.00 0.28 H new ATOM 0 HG12 VAL A 89 9.342 9.204 -1.901 1.00 0.28 H new ATOM 0 HG13 VAL A 89 7.607 8.849 -1.723 1.00 0.28 H new ATOM 0 HG21 VAL A 89 7.386 7.373 -4.422 1.00 0.25 H new ATOM 0 HG22 VAL A 89 6.194 8.572 -3.866 1.00 0.25 H new ATOM 0 HG23 VAL A 89 7.008 8.788 -5.433 1.00 0.25 H new ATOM 969 N LYS A 90 9.663 11.709 -2.338 1.00 0.33 N ATOM 970 CA LYS A 90 10.998 12.174 -2.020 1.00 0.41 C ATOM 971 C LYS A 90 11.852 10.947 -1.742 1.00 0.33 C ATOM 972 O LYS A 90 11.566 10.181 -0.818 1.00 0.35 O ATOM 973 CB LYS A 90 10.957 13.111 -0.808 1.00 0.54 C ATOM 974 CG LYS A 90 12.294 13.758 -0.478 1.00 0.99 C ATOM 975 CD LYS A 90 13.154 12.888 0.429 1.00 1.48 C ATOM 976 CE LYS A 90 12.568 12.793 1.828 1.00 2.27 C ATOM 977 NZ LYS A 90 13.459 12.048 2.758 1.00 2.81 N ATOM 0 H LYS A 90 9.064 11.588 -1.522 1.00 0.33 H new ATOM 0 HA LYS A 90 11.422 12.741 -2.848 1.00 0.41 H new ATOM 0 HB2 LYS A 90 10.222 13.894 -0.993 1.00 0.54 H new ATOM 0 HB3 LYS A 90 10.613 12.549 0.061 1.00 0.54 H new ATOM 0 HG2 LYS A 90 12.835 13.959 -1.403 1.00 0.99 H new ATOM 0 HG3 LYS A 90 12.120 14.720 0.005 1.00 0.99 H new ATOM 0 HD2 LYS A 90 13.241 11.889 0.001 1.00 1.48 H new ATOM 0 HD3 LYS A 90 14.161 13.301 0.483 1.00 1.48 H new ATOM 0 HE2 LYS A 90 12.396 13.796 2.217 1.00 2.27 H new ATOM 0 HE3 LYS A 90 11.598 12.298 1.782 1.00 2.27 H new ATOM 0 HZ1 LYS A 90 13.138 12.192 3.737 1.00 2.81 H new ATOM 0 HZ2 LYS A 90 13.429 11.034 2.530 1.00 2.81 H new ATOM 0 HZ3 LYS A 90 14.434 12.397 2.659 1.00 2.81 H new ATOM 991 N GLU A 91 12.888 10.749 -2.538 1.00 0.41 N ATOM 992 CA GLU A 91 13.575 9.471 -2.552 1.00 0.44 C ATOM 993 C GLU A 91 15.090 9.611 -2.598 1.00 0.46 C ATOM 994 O GLU A 91 15.645 10.545 -3.181 1.00 0.62 O ATOM 995 CB GLU A 91 13.085 8.648 -3.731 1.00 0.72 C ATOM 996 CG GLU A 91 13.630 7.243 -3.799 1.00 0.52 C ATOM 997 CD GLU A 91 14.202 6.921 -5.166 1.00 1.20 C ATOM 998 OE1 GLU A 91 13.433 6.495 -6.054 1.00 1.57 O ATOM 999 OE2 GLU A 91 15.424 7.068 -5.358 1.00 1.68 O ATOM 0 H GLU A 91 13.268 11.448 -3.176 1.00 0.41 H new ATOM 0 HA GLU A 91 13.341 8.965 -1.616 1.00 0.44 H new ATOM 0 HB2 GLU A 91 11.997 8.598 -3.692 1.00 0.72 H new ATOM 0 HB3 GLU A 91 13.348 9.168 -4.652 1.00 0.72 H new ATOM 0 HG2 GLU A 91 14.405 7.118 -3.043 1.00 0.52 H new ATOM 0 HG3 GLU A 91 12.836 6.534 -3.562 1.00 0.52 H new ATOM 1006 N VAL A 92 15.725 8.658 -1.954 1.00 0.45 N ATOM 1007 CA VAL A 92 17.177 8.550 -1.880 1.00 0.43 C ATOM 1008 C VAL A 92 17.631 7.313 -2.645 1.00 0.41 C ATOM 1009 O VAL A 92 16.840 6.417 -2.908 1.00 0.40 O ATOM 1010 CB VAL A 92 17.664 8.427 -0.422 1.00 0.44 C ATOM 1011 CG1 VAL A 92 17.148 9.567 0.410 1.00 0.53 C ATOM 1012 CG2 VAL A 92 17.245 7.111 0.176 1.00 0.40 C ATOM 0 H VAL A 92 15.240 7.914 -1.452 1.00 0.45 H new ATOM 0 HA VAL A 92 17.600 9.455 -2.315 1.00 0.43 H new ATOM 0 HB VAL A 92 18.753 8.469 -0.428 1.00 0.44 H new ATOM 0 HG11 VAL A 92 17.504 9.460 1.435 1.00 0.53 H new ATOM 0 HG12 VAL A 92 17.507 10.510 -0.002 1.00 0.53 H new ATOM 0 HG13 VAL A 92 16.058 9.559 0.402 1.00 0.53 H new ATOM 0 HG21 VAL A 92 17.601 7.049 1.204 1.00 0.40 H new ATOM 0 HG22 VAL A 92 16.158 7.035 0.163 1.00 0.40 H new ATOM 0 HG23 VAL A 92 17.673 6.294 -0.406 1.00 0.40 H new ATOM 1022 N ASP A 93 18.883 7.267 -3.023 1.00 0.44 N ATOM 1023 CA ASP A 93 19.430 6.071 -3.638 1.00 0.45 C ATOM 1024 C ASP A 93 20.505 5.496 -2.731 1.00 0.46 C ATOM 1025 O ASP A 93 21.222 6.238 -2.060 1.00 0.57 O ATOM 1026 CB ASP A 93 19.990 6.395 -5.018 1.00 0.56 C ATOM 1027 CG ASP A 93 20.151 5.168 -5.891 1.00 1.17 C ATOM 1028 OD1 ASP A 93 21.117 4.404 -5.673 1.00 1.83 O ATOM 1029 OD2 ASP A 93 19.318 4.959 -6.793 1.00 1.78 O ATOM 0 H ASP A 93 19.545 8.036 -2.919 1.00 0.44 H new ATOM 0 HA ASP A 93 18.642 5.329 -3.768 1.00 0.45 H new ATOM 0 HB2 ASP A 93 19.329 7.105 -5.516 1.00 0.56 H new ATOM 0 HB3 ASP A 93 20.957 6.885 -4.906 1.00 0.56 H new ATOM 1034 N GLY A 94 20.594 4.180 -2.692 1.00 0.42 N ATOM 1035 CA GLY A 94 21.494 3.529 -1.762 1.00 0.43 C ATOM 1036 C GLY A 94 20.760 2.977 -0.555 1.00 0.40 C ATOM 1037 O GLY A 94 21.142 1.944 -0.005 1.00 0.48 O ATOM 0 H GLY A 94 20.060 3.547 -3.287 1.00 0.42 H new ATOM 0 HA2 GLY A 94 22.017 2.719 -2.270 1.00 0.43 H new ATOM 0 HA3 GLY A 94 22.251 4.240 -1.432 1.00 0.43 H new ATOM 1041 N CYS A 95 19.682 3.647 -0.163 1.00 0.33 N ATOM 1042 CA CYS A 95 18.888 3.212 0.983 1.00 0.31 C ATOM 1043 C CYS A 95 17.970 2.095 0.541 1.00 0.27 C ATOM 1044 O CYS A 95 17.691 1.152 1.279 1.00 0.32 O ATOM 1045 CB CYS A 95 18.068 4.371 1.550 1.00 0.33 C ATOM 1046 SG CYS A 95 17.168 3.966 3.085 1.00 0.42 S ATOM 0 H CYS A 95 19.338 4.491 -0.620 1.00 0.33 H new ATOM 0 HA CYS A 95 19.556 2.859 1.769 1.00 0.31 H new ATOM 0 HB2 CYS A 95 18.733 5.213 1.743 1.00 0.33 H new ATOM 0 HB3 CYS A 95 17.351 4.698 0.797 1.00 0.33 H new ATOM 1051 N PHE A 96 17.515 2.214 -0.687 1.00 0.24 N ATOM 1052 CA PHE A 96 16.745 1.168 -1.324 1.00 0.23 C ATOM 1053 C PHE A 96 17.680 0.367 -2.217 1.00 0.24 C ATOM 1054 O PHE A 96 17.254 -0.217 -3.207 1.00 0.23 O ATOM 1055 CB PHE A 96 15.601 1.765 -2.151 1.00 0.24 C ATOM 1056 CG PHE A 96 14.952 2.949 -1.497 1.00 0.23 C ATOM 1057 CD1 PHE A 96 15.500 4.184 -1.691 1.00 0.30 C ATOM 1058 CD2 PHE A 96 13.836 2.838 -0.681 1.00 0.21 C ATOM 1059 CE1 PHE A 96 14.967 5.302 -1.089 1.00 0.35 C ATOM 1060 CE2 PHE A 96 13.296 3.953 -0.081 1.00 0.24 C ATOM 1061 CZ PHE A 96 13.870 5.185 -0.282 1.00 0.31 C ATOM 0 H PHE A 96 17.668 3.036 -1.271 1.00 0.24 H new ATOM 0 HA PHE A 96 16.303 0.521 -0.566 1.00 0.23 H new ATOM 0 HB2 PHE A 96 15.984 2.062 -3.127 1.00 0.24 H new ATOM 0 HB3 PHE A 96 14.848 0.996 -2.325 1.00 0.24 H new ATOM 0 HD1 PHE A 96 16.366 4.286 -2.328 1.00 0.30 H new ATOM 0 HD2 PHE A 96 13.387 1.870 -0.515 1.00 0.21 H new ATOM 0 HE1 PHE A 96 15.415 6.270 -1.254 1.00 0.35 H new ATOM 0 HE2 PHE A 96 12.422 3.860 0.547 1.00 0.24 H new ATOM 0 HZ PHE A 96 13.455 6.060 0.197 1.00 0.31 H new ATOM 1071 N MET A 97 18.965 0.354 -1.842 1.00 0.27 N ATOM 1072 CA MET A 97 20.004 -0.312 -2.617 1.00 0.29 C ATOM 1073 C MET A 97 19.792 -0.065 -4.108 1.00 0.31 C ATOM 1074 O MET A 97 19.613 1.079 -4.531 1.00 0.40 O ATOM 1075 CB MET A 97 20.020 -1.810 -2.301 1.00 0.29 C ATOM 1076 CG MET A 97 20.354 -2.123 -0.850 1.00 0.33 C ATOM 1077 SD MET A 97 21.041 -3.779 -0.623 1.00 0.45 S ATOM 1078 CE MET A 97 19.721 -4.808 -1.261 1.00 1.22 C ATOM 0 H MET A 97 19.307 0.806 -0.994 1.00 0.27 H new ATOM 0 HA MET A 97 20.974 0.102 -2.342 1.00 0.29 H new ATOM 0 HB2 MET A 97 19.045 -2.234 -2.540 1.00 0.29 H new ATOM 0 HB3 MET A 97 20.748 -2.301 -2.947 1.00 0.29 H new ATOM 0 HG2 MET A 97 21.067 -1.386 -0.480 1.00 0.33 H new ATOM 0 HG3 MET A 97 19.452 -2.024 -0.246 1.00 0.33 H new ATOM 0 HE1 MET A 97 20.147 -5.679 -1.759 1.00 1.22 H new ATOM 0 HE2 MET A 97 19.085 -5.135 -0.439 1.00 1.22 H new ATOM 0 HE3 MET A 97 19.127 -4.237 -1.975 1.00 1.22 H new ATOM 1088 N ASP A 98 19.813 -1.127 -4.894 1.00 0.30 N ATOM 1089 CA ASP A 98 19.442 -1.040 -6.291 1.00 0.31 C ATOM 1090 C ASP A 98 18.185 -1.849 -6.520 1.00 0.26 C ATOM 1091 O ASP A 98 17.231 -1.381 -7.138 1.00 0.25 O ATOM 1092 CB ASP A 98 20.559 -1.584 -7.189 1.00 0.40 C ATOM 1093 CG ASP A 98 21.926 -1.011 -6.875 1.00 1.01 C ATOM 1094 OD1 ASP A 98 22.595 -1.510 -5.946 1.00 1.19 O ATOM 1095 OD2 ASP A 98 22.326 -0.030 -7.542 1.00 1.64 O ATOM 0 H ASP A 98 20.084 -2.061 -4.586 1.00 0.30 H new ATOM 0 HA ASP A 98 19.273 0.007 -6.542 1.00 0.31 H new ATOM 0 HB2 ASP A 98 20.598 -2.669 -7.089 1.00 0.40 H new ATOM 0 HB3 ASP A 98 20.314 -1.368 -8.229 1.00 0.40 H new ATOM 1100 N ALA A 99 18.167 -3.051 -5.965 1.00 0.24 N ATOM 1101 CA ALA A 99 17.101 -3.991 -6.249 1.00 0.24 C ATOM 1102 C ALA A 99 15.872 -3.679 -5.420 1.00 0.20 C ATOM 1103 O ALA A 99 14.747 -3.997 -5.803 1.00 0.20 O ATOM 1104 CB ALA A 99 17.562 -5.418 -6.011 1.00 0.28 C ATOM 0 H ALA A 99 18.877 -3.395 -5.318 1.00 0.24 H new ATOM 0 HA ALA A 99 16.835 -3.891 -7.301 1.00 0.24 H new ATOM 0 HB1 ALA A 99 16.745 -6.106 -6.231 1.00 0.28 H new ATOM 0 HB2 ALA A 99 18.408 -5.640 -6.661 1.00 0.28 H new ATOM 0 HB3 ALA A 99 17.864 -5.534 -4.970 1.00 0.28 H new ATOM 1110 N GLN A 100 16.099 -3.044 -4.286 1.00 0.18 N ATOM 1111 CA GLN A 100 15.014 -2.640 -3.410 1.00 0.16 C ATOM 1112 C GLN A 100 14.263 -1.502 -4.061 1.00 0.14 C ATOM 1113 O GLN A 100 13.047 -1.388 -3.961 1.00 0.13 O ATOM 1114 CB GLN A 100 15.547 -2.178 -2.060 1.00 0.19 C ATOM 1115 CG GLN A 100 16.568 -3.121 -1.441 1.00 0.23 C ATOM 1116 CD GLN A 100 16.920 -2.757 -0.013 1.00 0.29 C ATOM 1117 OE1 GLN A 100 16.819 -1.481 0.316 1.00 0.83 O flip ATOM 1118 NE2 GLN A 100 17.270 -3.613 0.792 1.00 1.27 N flip ATOM 0 H GLN A 100 17.029 -2.796 -3.948 1.00 0.18 H new ATOM 0 HA GLN A 100 14.356 -3.494 -3.248 1.00 0.16 H new ATOM 0 HB2 GLN A 100 16.001 -1.194 -2.178 1.00 0.19 H new ATOM 0 HB3 GLN A 100 14.710 -2.062 -1.371 1.00 0.19 H new ATOM 0 HG2 GLN A 100 16.177 -4.138 -1.465 1.00 0.23 H new ATOM 0 HG3 GLN A 100 17.475 -3.114 -2.046 1.00 0.23 H new ATOM 0 HE21 GLN A 100 17.337 -4.589 0.502 1.00 1.27 H new ATOM 0 HE22 GLN A 100 17.494 -3.349 1.751 1.00 1.27 H new ATOM 1127 N LYS A 101 15.025 -0.650 -4.716 1.00 0.16 N ATOM 1128 CA LYS A 101 14.479 0.463 -5.461 1.00 0.17 C ATOM 1129 C LYS A 101 13.671 -0.047 -6.646 1.00 0.17 C ATOM 1130 O LYS A 101 12.573 0.436 -6.905 1.00 0.17 O ATOM 1131 CB LYS A 101 15.616 1.375 -5.912 1.00 0.23 C ATOM 1132 CG LYS A 101 15.159 2.595 -6.659 1.00 0.28 C ATOM 1133 CD LYS A 101 16.247 3.651 -6.666 1.00 0.50 C ATOM 1134 CE LYS A 101 15.913 4.806 -7.588 1.00 1.21 C ATOM 1135 NZ LYS A 101 16.810 5.962 -7.346 1.00 1.85 N ATOM 0 H LYS A 101 16.043 -0.711 -4.746 1.00 0.16 H new ATOM 0 HA LYS A 101 13.806 1.039 -4.826 1.00 0.17 H new ATOM 0 HB2 LYS A 101 16.185 1.689 -5.037 1.00 0.23 H new ATOM 0 HB3 LYS A 101 16.295 0.806 -6.547 1.00 0.23 H new ATOM 0 HG2 LYS A 101 14.899 2.326 -7.683 1.00 0.28 H new ATOM 0 HG3 LYS A 101 14.258 2.996 -6.196 1.00 0.28 H new ATOM 0 HD2 LYS A 101 16.394 4.027 -5.653 1.00 0.50 H new ATOM 0 HD3 LYS A 101 17.189 3.199 -6.978 1.00 0.50 H new ATOM 0 HE2 LYS A 101 16.002 4.484 -8.626 1.00 1.21 H new ATOM 0 HE3 LYS A 101 14.877 5.108 -7.436 1.00 1.21 H new ATOM 0 HZ1 LYS A 101 17.071 6.395 -8.255 1.00 1.85 H new ATOM 0 HZ2 LYS A 101 16.320 6.664 -6.756 1.00 1.85 H new ATOM 0 HZ3 LYS A 101 17.669 5.638 -6.857 1.00 1.85 H new ATOM 1149 N ILE A 102 14.224 -1.021 -7.360 1.00 0.17 N ATOM 1150 CA ILE A 102 13.474 -1.757 -8.371 1.00 0.18 C ATOM 1151 C ILE A 102 12.175 -2.303 -7.790 1.00 0.15 C ATOM 1152 O ILE A 102 11.108 -2.146 -8.379 1.00 0.15 O ATOM 1153 CB ILE A 102 14.308 -2.921 -8.915 1.00 0.20 C ATOM 1154 CG1 ILE A 102 15.595 -2.365 -9.510 1.00 0.23 C ATOM 1155 CG2 ILE A 102 13.526 -3.714 -9.957 1.00 0.21 C ATOM 1156 CD1 ILE A 102 16.648 -3.410 -9.783 1.00 0.25 C ATOM 0 H ILE A 102 15.194 -1.320 -7.257 1.00 0.17 H new ATOM 0 HA ILE A 102 13.241 -1.066 -9.181 1.00 0.18 H new ATOM 0 HB ILE A 102 14.548 -3.606 -8.102 1.00 0.20 H new ATOM 0 HG12 ILE A 102 15.359 -1.850 -10.441 1.00 0.23 H new ATOM 0 HG13 ILE A 102 16.006 -1.620 -8.829 1.00 0.23 H new ATOM 0 HG21 ILE A 102 14.141 -4.534 -10.327 1.00 0.21 H new ATOM 0 HG22 ILE A 102 12.620 -4.116 -9.504 1.00 0.21 H new ATOM 0 HG23 ILE A 102 13.257 -3.059 -10.786 1.00 0.21 H new ATOM 0 HD11 ILE A 102 17.533 -2.933 -10.205 1.00 0.25 H new ATOM 0 HD12 ILE A 102 16.915 -3.910 -8.852 1.00 0.25 H new ATOM 0 HD13 ILE A 102 16.259 -4.143 -10.489 1.00 0.25 H new ATOM 1168 N ALA A 103 12.283 -2.936 -6.626 1.00 0.13 N ATOM 1169 CA ALA A 103 11.126 -3.452 -5.902 1.00 0.11 C ATOM 1170 C ALA A 103 10.089 -2.360 -5.679 1.00 0.10 C ATOM 1171 O ALA A 103 8.887 -2.592 -5.770 1.00 0.10 O ATOM 1172 CB ALA A 103 11.566 -4.007 -4.563 1.00 0.11 C ATOM 0 H ALA A 103 13.174 -3.106 -6.159 1.00 0.13 H new ATOM 0 HA ALA A 103 10.675 -4.243 -6.501 1.00 0.11 H new ATOM 0 HB1 ALA A 103 10.699 -4.391 -4.026 1.00 0.11 H new ATOM 0 HB2 ALA A 103 12.282 -4.814 -4.721 1.00 0.11 H new ATOM 0 HB3 ALA A 103 12.034 -3.216 -3.977 1.00 0.11 H new ATOM 1178 N ILE A 104 10.579 -1.165 -5.399 1.00 0.10 N ATOM 1179 CA ILE A 104 9.739 -0.024 -5.094 1.00 0.11 C ATOM 1180 C ILE A 104 9.162 0.587 -6.362 1.00 0.12 C ATOM 1181 O ILE A 104 8.020 1.044 -6.378 1.00 0.13 O ATOM 1182 CB ILE A 104 10.544 1.009 -4.293 1.00 0.11 C ATOM 1183 CG1 ILE A 104 10.789 0.462 -2.901 1.00 0.14 C ATOM 1184 CG2 ILE A 104 9.857 2.361 -4.209 1.00 0.15 C ATOM 1185 CD1 ILE A 104 11.325 1.494 -1.961 1.00 0.17 C ATOM 0 H ILE A 104 11.578 -0.960 -5.377 1.00 0.10 H new ATOM 0 HA ILE A 104 8.897 -0.358 -4.487 1.00 0.11 H new ATOM 0 HB ILE A 104 11.486 1.175 -4.815 1.00 0.11 H new ATOM 0 HG12 ILE A 104 9.856 0.063 -2.503 1.00 0.14 H new ATOM 0 HG13 ILE A 104 11.492 -0.369 -2.960 1.00 0.14 H new ATOM 0 HG21 ILE A 104 10.475 3.048 -3.631 1.00 0.15 H new ATOM 0 HG22 ILE A 104 9.714 2.760 -5.213 1.00 0.15 H new ATOM 0 HG23 ILE A 104 8.888 2.247 -3.723 1.00 0.15 H new ATOM 0 HD11 ILE A 104 11.481 1.046 -0.980 1.00 0.17 H new ATOM 0 HD12 ILE A 104 12.273 1.875 -2.341 1.00 0.17 H new ATOM 0 HD13 ILE A 104 10.612 2.314 -1.876 1.00 0.17 H new ATOM 1197 N ASP A 105 9.955 0.577 -7.425 1.00 0.13 N ATOM 1198 CA ASP A 105 9.473 0.962 -8.749 1.00 0.16 C ATOM 1199 C ASP A 105 8.298 0.078 -9.113 1.00 0.14 C ATOM 1200 O ASP A 105 7.244 0.543 -9.552 1.00 0.17 O ATOM 1201 CB ASP A 105 10.580 0.773 -9.778 1.00 0.21 C ATOM 1202 CG ASP A 105 10.165 1.167 -11.185 1.00 0.36 C ATOM 1203 OD1 ASP A 105 9.454 0.381 -11.843 1.00 0.44 O ATOM 1204 OD2 ASP A 105 10.531 2.277 -11.633 1.00 0.53 O ATOM 0 H ASP A 105 10.938 0.306 -7.398 1.00 0.13 H new ATOM 0 HA ASP A 105 9.170 2.009 -8.739 1.00 0.16 H new ATOM 0 HB2 ASP A 105 11.446 1.365 -9.483 1.00 0.21 H new ATOM 0 HB3 ASP A 105 10.893 -0.271 -9.778 1.00 0.21 H new ATOM 1209 N LYS A 106 8.506 -1.206 -8.888 1.00 0.13 N ATOM 1210 CA LYS A 106 7.483 -2.216 -9.092 1.00 0.13 C ATOM 1211 C LYS A 106 6.269 -1.947 -8.204 1.00 0.12 C ATOM 1212 O LYS A 106 5.143 -1.893 -8.688 1.00 0.14 O ATOM 1213 CB LYS A 106 8.068 -3.600 -8.790 1.00 0.14 C ATOM 1214 CG LYS A 106 9.148 -4.028 -9.763 1.00 0.16 C ATOM 1215 CD LYS A 106 9.991 -5.181 -9.227 1.00 0.18 C ATOM 1216 CE LYS A 106 10.836 -5.784 -10.334 1.00 0.22 C ATOM 1217 NZ LYS A 106 11.607 -6.976 -9.893 1.00 0.29 N ATOM 0 H LYS A 106 9.395 -1.580 -8.556 1.00 0.13 H new ATOM 0 HA LYS A 106 7.153 -2.181 -10.130 1.00 0.13 H new ATOM 0 HB2 LYS A 106 8.480 -3.599 -7.781 1.00 0.14 H new ATOM 0 HB3 LYS A 106 7.264 -4.336 -8.805 1.00 0.14 H new ATOM 0 HG2 LYS A 106 8.687 -4.326 -10.705 1.00 0.16 H new ATOM 0 HG3 LYS A 106 9.795 -3.178 -9.980 1.00 0.16 H new ATOM 0 HD2 LYS A 106 10.635 -4.825 -8.423 1.00 0.18 H new ATOM 0 HD3 LYS A 106 9.342 -5.945 -8.800 1.00 0.18 H new ATOM 0 HE2 LYS A 106 10.189 -6.064 -11.166 1.00 0.22 H new ATOM 0 HE3 LYS A 106 11.527 -5.029 -10.708 1.00 0.22 H new ATOM 0 HZ1 LYS A 106 12.625 -6.785 -9.987 1.00 0.29 H new ATOM 0 HZ2 LYS A 106 11.384 -7.185 -8.899 1.00 0.29 H new ATOM 0 HZ3 LYS A 106 11.352 -7.793 -10.484 1.00 0.29 H new ATOM 1231 N LEU A 107 6.511 -1.734 -6.914 1.00 0.10 N ATOM 1232 CA LEU A 107 5.438 -1.491 -5.952 1.00 0.11 C ATOM 1233 C LEU A 107 4.641 -0.235 -6.302 1.00 0.10 C ATOM 1234 O LEU A 107 3.413 -0.265 -6.338 1.00 0.11 O ATOM 1235 CB LEU A 107 6.034 -1.392 -4.527 1.00 0.13 C ATOM 1236 CG LEU A 107 5.669 -0.145 -3.711 1.00 0.11 C ATOM 1237 CD1 LEU A 107 4.251 -0.225 -3.175 1.00 0.13 C ATOM 1238 CD2 LEU A 107 6.658 0.048 -2.572 1.00 0.15 C ATOM 0 H LEU A 107 7.447 -1.725 -6.508 1.00 0.10 H new ATOM 0 HA LEU A 107 4.742 -2.329 -5.991 1.00 0.11 H new ATOM 0 HB2 LEU A 107 5.718 -2.271 -3.965 1.00 0.13 H new ATOM 0 HB3 LEU A 107 7.120 -1.439 -4.609 1.00 0.13 H new ATOM 0 HG LEU A 107 5.723 0.717 -4.376 1.00 0.11 H new ATOM 0 HD11 LEU A 107 4.027 0.675 -2.602 1.00 0.13 H new ATOM 0 HD12 LEU A 107 3.552 -0.309 -4.007 1.00 0.13 H new ATOM 0 HD13 LEU A 107 4.154 -1.099 -2.530 1.00 0.13 H new ATOM 0 HD21 LEU A 107 6.387 0.936 -2.001 1.00 0.15 H new ATOM 0 HD22 LEU A 107 6.635 -0.824 -1.918 1.00 0.15 H new ATOM 0 HD23 LEU A 107 7.662 0.170 -2.979 1.00 0.15 H new ATOM 1250 N PHE A 108 5.336 0.851 -6.591 1.00 0.10 N ATOM 1251 CA PHE A 108 4.680 2.135 -6.813 1.00 0.11 C ATOM 1252 C PHE A 108 3.923 2.187 -8.136 1.00 0.12 C ATOM 1253 O PHE A 108 2.900 2.869 -8.236 1.00 0.14 O ATOM 1254 CB PHE A 108 5.677 3.290 -6.713 1.00 0.12 C ATOM 1255 CG PHE A 108 5.937 3.724 -5.295 1.00 0.12 C ATOM 1256 CD1 PHE A 108 5.088 3.346 -4.271 1.00 0.15 C ATOM 1257 CD2 PHE A 108 7.043 4.504 -4.990 1.00 0.17 C ATOM 1258 CE1 PHE A 108 5.338 3.737 -2.968 1.00 0.16 C ATOM 1259 CE2 PHE A 108 7.294 4.898 -3.694 1.00 0.17 C ATOM 1260 CZ PHE A 108 6.389 4.535 -2.677 1.00 0.14 C ATOM 0 H PHE A 108 6.352 0.873 -6.678 1.00 0.10 H new ATOM 0 HA PHE A 108 3.941 2.246 -6.020 1.00 0.11 H new ATOM 0 HB2 PHE A 108 6.618 2.990 -7.173 1.00 0.12 H new ATOM 0 HB3 PHE A 108 5.299 4.139 -7.283 1.00 0.12 H new ATOM 0 HD1 PHE A 108 4.222 2.740 -4.491 1.00 0.15 H new ATOM 0 HD2 PHE A 108 7.716 4.806 -5.779 1.00 0.17 H new ATOM 0 HE1 PHE A 108 4.686 3.401 -2.175 1.00 0.16 H new ATOM 0 HE2 PHE A 108 8.174 5.478 -3.460 1.00 0.17 H new ATOM 0 HZ PHE A 108 6.535 4.893 -1.669 1.00 0.14 H new ATOM 1270 N SER A 109 4.416 1.495 -9.147 1.00 0.13 N ATOM 1271 CA SER A 109 3.708 1.410 -10.411 1.00 0.14 C ATOM 1272 C SER A 109 2.489 0.500 -10.282 1.00 0.14 C ATOM 1273 O SER A 109 1.495 0.683 -10.982 1.00 0.16 O ATOM 1274 CB SER A 109 4.657 0.916 -11.498 1.00 0.17 C ATOM 1275 OG SER A 109 5.240 -0.327 -11.150 1.00 1.14 O ATOM 0 H SER A 109 5.299 0.986 -9.118 1.00 0.13 H new ATOM 0 HA SER A 109 3.350 2.401 -10.690 1.00 0.14 H new ATOM 0 HB2 SER A 109 4.115 0.815 -12.438 1.00 0.17 H new ATOM 0 HB3 SER A 109 5.442 1.655 -11.661 1.00 0.17 H new ATOM 0 HG SER A 109 6.014 -0.174 -10.569 1.00 1.14 H new ATOM 1281 N MET A 110 2.563 -0.467 -9.365 1.00 0.13 N ATOM 1282 CA MET A 110 1.446 -1.370 -9.106 1.00 0.14 C ATOM 1283 C MET A 110 0.184 -0.614 -8.737 1.00 0.14 C ATOM 1284 O MET A 110 -0.865 -0.837 -9.336 1.00 0.16 O ATOM 1285 CB MET A 110 1.757 -2.319 -7.964 1.00 0.13 C ATOM 1286 CG MET A 110 2.675 -3.463 -8.308 1.00 0.17 C ATOM 1287 SD MET A 110 2.603 -4.726 -7.037 1.00 0.23 S ATOM 1288 CE MET A 110 2.250 -3.708 -5.607 1.00 0.14 C ATOM 0 H MET A 110 3.387 -0.643 -8.790 1.00 0.13 H new ATOM 0 HA MET A 110 1.290 -1.925 -10.031 1.00 0.14 H new ATOM 0 HB2 MET A 110 2.205 -1.748 -7.151 1.00 0.13 H new ATOM 0 HB3 MET A 110 0.819 -2.728 -7.588 1.00 0.13 H new ATOM 0 HG2 MET A 110 2.390 -3.889 -9.270 1.00 0.17 H new ATOM 0 HG3 MET A 110 3.697 -3.099 -8.411 1.00 0.17 H new ATOM 0 HE1 MET A 110 2.330 -4.311 -4.702 1.00 0.14 H new ATOM 0 HE2 MET A 110 2.965 -2.887 -5.560 1.00 0.14 H new ATOM 0 HE3 MET A 110 1.240 -3.306 -5.687 1.00 0.14 H new ATOM 1298 N LEU A 111 0.284 0.273 -7.743 1.00 0.14 N ATOM 1299 CA LEU A 111 -0.891 1.000 -7.276 1.00 0.15 C ATOM 1300 C LEU A 111 -1.478 1.768 -8.431 1.00 0.17 C ATOM 1301 O LEU A 111 -2.666 1.719 -8.689 1.00 0.18 O ATOM 1302 CB LEU A 111 -0.578 2.018 -6.169 1.00 0.17 C ATOM 1303 CG LEU A 111 0.307 1.575 -5.000 1.00 0.15 C ATOM 1304 CD1 LEU A 111 0.208 0.078 -4.741 1.00 0.17 C ATOM 1305 CD2 LEU A 111 1.746 2.019 -5.228 1.00 0.15 C ATOM 0 H LEU A 111 1.151 0.500 -7.256 1.00 0.14 H new ATOM 0 HA LEU A 111 -1.576 0.255 -6.871 1.00 0.15 H new ATOM 0 HB2 LEU A 111 -0.103 2.881 -6.636 1.00 0.17 H new ATOM 0 HB3 LEU A 111 -1.527 2.361 -5.756 1.00 0.17 H new ATOM 0 HG LEU A 111 -0.060 2.064 -4.098 1.00 0.15 H new ATOM 0 HD11 LEU A 111 0.852 -0.190 -3.904 1.00 0.17 H new ATOM 0 HD12 LEU A 111 -0.823 -0.183 -4.503 1.00 0.17 H new ATOM 0 HD13 LEU A 111 0.524 -0.467 -5.631 1.00 0.17 H new ATOM 0 HD21 LEU A 111 2.363 1.697 -4.389 1.00 0.15 H new ATOM 0 HD22 LEU A 111 2.123 1.573 -6.148 1.00 0.15 H new ATOM 0 HD23 LEU A 111 1.783 3.105 -5.310 1.00 0.15 H new ATOM 1317 N LYS A 112 -0.597 2.438 -9.150 1.00 0.19 N ATOM 1318 CA LYS A 112 -0.982 3.334 -10.220 1.00 0.22 C ATOM 1319 C LYS A 112 -1.609 2.571 -11.370 1.00 0.21 C ATOM 1320 O LYS A 112 -2.439 3.108 -12.104 1.00 0.24 O ATOM 1321 CB LYS A 112 0.242 4.089 -10.704 1.00 0.29 C ATOM 1322 CG LYS A 112 0.859 4.989 -9.650 1.00 0.36 C ATOM 1323 CD LYS A 112 1.983 5.798 -10.242 1.00 0.47 C ATOM 1324 CE LYS A 112 2.795 6.438 -9.151 1.00 1.22 C ATOM 1325 NZ LYS A 112 3.797 5.502 -8.586 1.00 1.82 N ATOM 0 H LYS A 112 0.411 2.374 -9.006 1.00 0.19 H new ATOM 0 HA LYS A 112 -1.723 4.037 -9.839 1.00 0.22 H new ATOM 0 HB2 LYS A 112 0.991 3.372 -11.041 1.00 0.29 H new ATOM 0 HB3 LYS A 112 -0.033 4.693 -11.569 1.00 0.29 H new ATOM 0 HG2 LYS A 112 0.099 5.655 -9.242 1.00 0.36 H new ATOM 0 HG3 LYS A 112 1.233 4.387 -8.822 1.00 0.36 H new ATOM 0 HD2 LYS A 112 2.620 5.157 -10.851 1.00 0.47 H new ATOM 0 HD3 LYS A 112 1.579 6.566 -10.902 1.00 0.47 H new ATOM 0 HE2 LYS A 112 3.302 7.319 -9.545 1.00 1.22 H new ATOM 0 HE3 LYS A 112 2.131 6.781 -8.358 1.00 1.22 H new ATOM 0 HZ1 LYS A 112 4.254 5.939 -7.761 1.00 1.82 H new ATOM 0 HZ2 LYS A 112 3.325 4.622 -8.295 1.00 1.82 H new ATOM 0 HZ3 LYS A 112 4.516 5.287 -9.306 1.00 1.82 H new ATOM 1339 N ASP A 113 -1.222 1.312 -11.520 1.00 0.20 N ATOM 1340 CA ASP A 113 -1.773 0.482 -12.567 1.00 0.22 C ATOM 1341 C ASP A 113 -3.091 -0.084 -12.084 1.00 0.21 C ATOM 1342 O ASP A 113 -3.941 -0.528 -12.859 1.00 0.24 O ATOM 1343 CB ASP A 113 -0.798 -0.632 -12.883 1.00 0.25 C ATOM 1344 CG ASP A 113 -1.080 -1.289 -14.216 1.00 0.35 C ATOM 1345 OD1 ASP A 113 -0.820 -0.663 -15.262 1.00 0.51 O ATOM 1346 OD2 ASP A 113 -1.578 -2.433 -14.224 1.00 0.46 O ATOM 0 H ASP A 113 -0.531 0.850 -10.929 1.00 0.20 H new ATOM 0 HA ASP A 113 -1.941 1.064 -13.473 1.00 0.22 H new ATOM 0 HB2 ASP A 113 0.216 -0.233 -12.886 1.00 0.25 H new ATOM 0 HB3 ASP A 113 -0.842 -1.384 -12.095 1.00 0.25 H new ATOM 1351 N GLY A 114 -3.238 -0.035 -10.773 1.00 0.18 N ATOM 1352 CA GLY A 114 -4.467 -0.409 -10.125 1.00 0.17 C ATOM 1353 C GLY A 114 -4.296 -1.620 -9.236 1.00 0.15 C ATOM 1354 O GLY A 114 -4.419 -2.753 -9.695 1.00 0.18 O ATOM 0 H GLY A 114 -2.504 0.267 -10.133 1.00 0.18 H new ATOM 0 HA2 GLY A 114 -4.832 0.428 -9.530 1.00 0.17 H new ATOM 0 HA3 GLY A 114 -5.225 -0.618 -10.880 1.00 0.17 H new ATOM 1358 N VAL A 115 -4.017 -1.384 -7.962 1.00 0.14 N ATOM 1359 CA VAL A 115 -3.852 -2.461 -7.008 1.00 0.12 C ATOM 1360 C VAL A 115 -5.102 -2.546 -6.138 1.00 0.12 C ATOM 1361 O VAL A 115 -5.600 -1.536 -5.656 1.00 0.13 O ATOM 1362 CB VAL A 115 -2.578 -2.258 -6.139 1.00 0.12 C ATOM 1363 CG1 VAL A 115 -2.907 -2.111 -4.669 1.00 0.12 C ATOM 1364 CG2 VAL A 115 -1.581 -3.379 -6.368 1.00 0.14 C ATOM 0 H VAL A 115 -3.901 -0.450 -7.568 1.00 0.14 H new ATOM 0 HA VAL A 115 -3.721 -3.399 -7.547 1.00 0.12 H new ATOM 0 HB VAL A 115 -2.118 -1.322 -6.456 1.00 0.12 H new ATOM 0 HG11 VAL A 115 -1.986 -1.972 -4.102 1.00 0.12 H new ATOM 0 HG12 VAL A 115 -3.556 -1.247 -4.526 1.00 0.12 H new ATOM 0 HG13 VAL A 115 -3.416 -3.009 -4.319 1.00 0.12 H new ATOM 0 HG21 VAL A 115 -0.699 -3.214 -5.749 1.00 0.14 H new ATOM 0 HG22 VAL A 115 -2.038 -4.332 -6.102 1.00 0.14 H new ATOM 0 HG23 VAL A 115 -1.289 -3.397 -7.418 1.00 0.14 H new ATOM 1374 N VAL A 116 -5.629 -3.733 -5.969 1.00 0.12 N ATOM 1375 CA VAL A 116 -6.816 -3.917 -5.172 1.00 0.13 C ATOM 1376 C VAL A 116 -6.466 -4.515 -3.822 1.00 0.10 C ATOM 1377 O VAL A 116 -5.756 -5.519 -3.725 1.00 0.15 O ATOM 1378 CB VAL A 116 -7.859 -4.785 -5.904 1.00 0.19 C ATOM 1379 CG1 VAL A 116 -7.253 -6.084 -6.387 1.00 0.22 C ATOM 1380 CG2 VAL A 116 -9.070 -5.045 -5.021 1.00 0.23 C ATOM 0 H VAL A 116 -5.253 -4.590 -6.375 1.00 0.12 H new ATOM 0 HA VAL A 116 -7.263 -2.936 -5.009 1.00 0.13 H new ATOM 0 HB VAL A 116 -8.194 -4.229 -6.780 1.00 0.19 H new ATOM 0 HG11 VAL A 116 -8.014 -6.673 -6.899 1.00 0.22 H new ATOM 0 HG12 VAL A 116 -6.436 -5.870 -7.076 1.00 0.22 H new ATOM 0 HG13 VAL A 116 -6.871 -6.646 -5.535 1.00 0.22 H new ATOM 0 HG21 VAL A 116 -9.790 -5.659 -5.562 1.00 0.23 H new ATOM 0 HG22 VAL A 116 -8.756 -5.566 -4.117 1.00 0.23 H new ATOM 0 HG23 VAL A 116 -9.534 -4.096 -4.751 1.00 0.23 H new ATOM 1390 N LEU A 117 -6.934 -3.848 -2.787 1.00 0.11 N ATOM 1391 CA LEU A 117 -6.749 -4.292 -1.420 1.00 0.11 C ATOM 1392 C LEU A 117 -7.721 -5.434 -1.142 1.00 0.12 C ATOM 1393 O LEU A 117 -8.928 -5.260 -1.270 1.00 0.16 O ATOM 1394 CB LEU A 117 -6.964 -3.104 -0.476 1.00 0.15 C ATOM 1395 CG LEU A 117 -5.776 -2.123 -0.352 1.00 0.13 C ATOM 1396 CD1 LEU A 117 -5.046 -1.928 -1.670 1.00 0.26 C ATOM 1397 CD2 LEU A 117 -6.254 -0.778 0.165 1.00 0.24 C ATOM 0 H LEU A 117 -7.457 -2.976 -2.871 1.00 0.11 H new ATOM 0 HA LEU A 117 -5.737 -4.664 -1.258 1.00 0.11 H new ATOM 0 HB2 LEU A 117 -7.837 -2.547 -0.816 1.00 0.15 H new ATOM 0 HB3 LEU A 117 -7.198 -3.490 0.516 1.00 0.15 H new ATOM 0 HG LEU A 117 -5.074 -2.565 0.355 1.00 0.13 H new ATOM 0 HD11 LEU A 117 -4.221 -1.230 -1.529 1.00 0.26 H new ATOM 0 HD12 LEU A 117 -4.657 -2.886 -2.015 1.00 0.26 H new ATOM 0 HD13 LEU A 117 -5.736 -1.528 -2.413 1.00 0.26 H new ATOM 0 HD21 LEU A 117 -5.406 -0.098 0.247 1.00 0.24 H new ATOM 0 HD22 LEU A 117 -6.987 -0.362 -0.526 1.00 0.24 H new ATOM 0 HD23 LEU A 117 -6.712 -0.907 1.146 1.00 0.24 H new ATOM 1409 N LYS A 118 -7.171 -6.602 -0.791 1.00 0.14 N ATOM 1410 CA LYS A 118 -7.905 -7.867 -0.679 1.00 0.18 C ATOM 1411 C LYS A 118 -6.915 -9.006 -0.865 1.00 0.22 C ATOM 1412 O LYS A 118 -5.875 -8.826 -1.493 1.00 0.27 O ATOM 1413 CB LYS A 118 -9.027 -8.014 -1.729 1.00 0.20 C ATOM 1414 CG LYS A 118 -10.426 -7.701 -1.199 1.00 0.19 C ATOM 1415 CD LYS A 118 -11.504 -7.949 -2.242 1.00 0.34 C ATOM 1416 CE LYS A 118 -11.468 -6.912 -3.349 1.00 0.39 C ATOM 1417 NZ LYS A 118 -12.356 -7.281 -4.483 1.00 0.80 N ATOM 0 H LYS A 118 -6.179 -6.696 -0.572 1.00 0.14 H new ATOM 0 HA LYS A 118 -8.379 -7.887 0.302 1.00 0.18 H new ATOM 0 HB2 LYS A 118 -8.812 -7.353 -2.569 1.00 0.20 H new ATOM 0 HB3 LYS A 118 -9.017 -9.033 -2.115 1.00 0.20 H new ATOM 0 HG2 LYS A 118 -10.625 -8.314 -0.320 1.00 0.19 H new ATOM 0 HG3 LYS A 118 -10.466 -6.660 -0.877 1.00 0.19 H new ATOM 0 HD2 LYS A 118 -11.373 -8.943 -2.671 1.00 0.34 H new ATOM 0 HD3 LYS A 118 -12.483 -7.935 -1.763 1.00 0.34 H new ATOM 0 HE2 LYS A 118 -11.772 -5.944 -2.950 1.00 0.39 H new ATOM 0 HE3 LYS A 118 -10.445 -6.801 -3.710 1.00 0.39 H new ATOM 0 HZ1 LYS A 118 -12.065 -6.761 -5.335 1.00 0.80 H new ATOM 0 HZ2 LYS A 118 -12.286 -8.303 -4.660 1.00 0.80 H new ATOM 0 HZ3 LYS A 118 -13.339 -7.037 -4.248 1.00 0.80 H new ATOM 1431 N GLY A 119 -7.224 -10.164 -0.316 1.00 0.31 N ATOM 1432 CA GLY A 119 -6.354 -11.308 -0.495 1.00 0.38 C ATOM 1433 C GLY A 119 -7.120 -12.600 -0.636 1.00 0.53 C ATOM 1434 O GLY A 119 -8.323 -12.591 -0.897 1.00 0.85 O ATOM 0 H GLY A 119 -8.056 -10.336 0.248 1.00 0.31 H new ATOM 0 HA2 GLY A 119 -5.737 -11.156 -1.381 1.00 0.38 H new ATOM 0 HA3 GLY A 119 -5.677 -11.382 0.356 1.00 0.38 H new ATOM 1519 N THR A 125 -6.381 -7.219 8.112 1.00 0.54 N ATOM 1520 CA THR A 125 -5.102 -6.955 7.476 1.00 0.40 C ATOM 1521 C THR A 125 -5.321 -6.636 5.998 1.00 0.29 C ATOM 1522 O THR A 125 -6.179 -7.239 5.349 1.00 0.34 O ATOM 1523 CB THR A 125 -4.135 -8.155 7.613 1.00 0.39 C ATOM 1524 OG1 THR A 125 -3.992 -8.536 8.991 1.00 0.51 O ATOM 1525 CG2 THR A 125 -2.774 -7.809 7.048 1.00 0.37 C ATOM 0 HA THR A 125 -4.647 -6.102 7.979 1.00 0.40 H new ATOM 0 HB THR A 125 -4.557 -8.989 7.052 1.00 0.39 H new ATOM 0 HG1 THR A 125 -4.848 -8.420 9.453 1.00 0.51 H new ATOM 0 HG21 THR A 125 -2.108 -8.665 7.153 1.00 0.37 H new ATOM 0 HG22 THR A 125 -2.872 -7.553 5.993 1.00 0.37 H new ATOM 0 HG23 THR A 125 -2.360 -6.959 7.590 1.00 0.37 H new ATOM 1533 N ILE A 126 -4.558 -5.684 5.474 1.00 0.22 N ATOM 1534 CA ILE A 126 -4.731 -5.241 4.099 1.00 0.15 C ATOM 1535 C ILE A 126 -3.735 -5.946 3.185 1.00 0.14 C ATOM 1536 O ILE A 126 -2.573 -6.107 3.540 1.00 0.19 O ATOM 1537 CB ILE A 126 -4.544 -3.714 3.971 1.00 0.13 C ATOM 1538 CG1 ILE A 126 -5.154 -3.002 5.192 1.00 0.16 C ATOM 1539 CG2 ILE A 126 -5.186 -3.220 2.686 1.00 0.12 C ATOM 1540 CD1 ILE A 126 -5.176 -1.487 5.101 1.00 0.16 C ATOM 0 H ILE A 126 -3.814 -5.205 5.982 1.00 0.22 H new ATOM 0 HA ILE A 126 -5.748 -5.494 3.800 1.00 0.15 H new ATOM 0 HB ILE A 126 -3.479 -3.486 3.937 1.00 0.13 H new ATOM 0 HG12 ILE A 126 -6.175 -3.358 5.330 1.00 0.16 H new ATOM 0 HG13 ILE A 126 -4.593 -3.290 6.081 1.00 0.16 H new ATOM 0 HG21 ILE A 126 -5.050 -2.142 2.603 1.00 0.12 H new ATOM 0 HG22 ILE A 126 -4.718 -3.712 1.833 1.00 0.12 H new ATOM 0 HG23 ILE A 126 -6.251 -3.451 2.699 1.00 0.12 H new ATOM 0 HD11 ILE A 126 -5.623 -1.075 6.006 1.00 0.16 H new ATOM 0 HD12 ILE A 126 -4.157 -1.114 4.997 1.00 0.16 H new ATOM 0 HD13 ILE A 126 -5.764 -1.183 4.235 1.00 0.16 H new ATOM 1552 N LEU A 127 -4.186 -6.372 2.018 1.00 0.12 N ATOM 1553 CA LEU A 127 -3.315 -7.067 1.082 1.00 0.12 C ATOM 1554 C LEU A 127 -3.360 -6.382 -0.276 1.00 0.11 C ATOM 1555 O LEU A 127 -4.407 -5.901 -0.697 1.00 0.12 O ATOM 1556 CB LEU A 127 -3.717 -8.539 0.968 1.00 0.15 C ATOM 1557 CG LEU A 127 -3.921 -9.242 2.309 1.00 0.19 C ATOM 1558 CD1 LEU A 127 -4.469 -10.642 2.103 1.00 0.26 C ATOM 1559 CD2 LEU A 127 -2.610 -9.288 3.068 1.00 0.20 C ATOM 0 H LEU A 127 -5.146 -6.250 1.695 1.00 0.12 H new ATOM 0 HA LEU A 127 -2.291 -7.028 1.454 1.00 0.12 H new ATOM 0 HB2 LEU A 127 -4.639 -8.608 0.391 1.00 0.15 H new ATOM 0 HB3 LEU A 127 -2.949 -9.070 0.406 1.00 0.15 H new ATOM 0 HG LEU A 127 -4.649 -8.680 2.894 1.00 0.19 H new ATOM 0 HD11 LEU A 127 -4.607 -11.125 3.070 1.00 0.26 H new ATOM 0 HD12 LEU A 127 -5.427 -10.585 1.586 1.00 0.26 H new ATOM 0 HD13 LEU A 127 -3.767 -11.223 1.504 1.00 0.26 H new ATOM 0 HD21 LEU A 127 -2.760 -9.790 4.024 1.00 0.20 H new ATOM 0 HD22 LEU A 127 -1.870 -9.835 2.483 1.00 0.20 H new ATOM 0 HD23 LEU A 127 -2.255 -8.272 3.244 1.00 0.20 H new ATOM 1571 N ILE A 128 -2.214 -6.323 -0.933 1.00 0.11 N ATOM 1572 CA ILE A 128 -2.064 -5.582 -2.188 1.00 0.11 C ATOM 1573 C ILE A 128 -1.960 -6.524 -3.394 1.00 0.13 C ATOM 1574 O ILE A 128 -0.997 -7.287 -3.522 1.00 0.15 O ATOM 1575 CB ILE A 128 -0.809 -4.680 -2.138 1.00 0.10 C ATOM 1576 CG1 ILE A 128 -0.952 -3.612 -1.055 1.00 0.12 C ATOM 1577 CG2 ILE A 128 -0.544 -4.036 -3.486 1.00 0.11 C ATOM 1578 CD1 ILE A 128 0.260 -2.716 -0.931 1.00 0.12 C ATOM 0 H ILE A 128 -1.360 -6.784 -0.618 1.00 0.11 H new ATOM 0 HA ILE A 128 -2.956 -4.966 -2.306 1.00 0.11 H new ATOM 0 HB ILE A 128 0.045 -5.311 -1.890 1.00 0.10 H new ATOM 0 HG12 ILE A 128 -1.827 -2.999 -1.273 1.00 0.12 H new ATOM 0 HG13 ILE A 128 -1.134 -4.099 -0.097 1.00 0.12 H new ATOM 0 HG21 ILE A 128 0.344 -3.408 -3.421 1.00 0.11 H new ATOM 0 HG22 ILE A 128 -0.385 -4.812 -4.235 1.00 0.11 H new ATOM 0 HG23 ILE A 128 -1.400 -3.425 -3.772 1.00 0.11 H new ATOM 0 HD11 ILE A 128 0.090 -1.981 -0.144 1.00 0.12 H new ATOM 0 HD12 ILE A 128 1.134 -3.318 -0.683 1.00 0.12 H new ATOM 0 HD13 ILE A 128 0.431 -2.202 -1.877 1.00 0.12 H new ATOM 1590 N GLU A 129 -2.933 -6.445 -4.295 1.00 0.15 N ATOM 1591 CA GLU A 129 -2.996 -7.339 -5.432 1.00 0.19 C ATOM 1592 C GLU A 129 -3.213 -6.557 -6.734 1.00 0.17 C ATOM 1593 O GLU A 129 -4.003 -5.620 -6.775 1.00 0.19 O ATOM 1594 CB GLU A 129 -4.141 -8.334 -5.224 1.00 0.27 C ATOM 1595 CG GLU A 129 -4.790 -8.760 -6.522 1.00 0.34 C ATOM 1596 CD GLU A 129 -5.846 -9.831 -6.351 1.00 0.80 C ATOM 1597 OE1 GLU A 129 -5.480 -11.006 -6.127 1.00 1.62 O ATOM 1598 OE2 GLU A 129 -7.049 -9.500 -6.412 1.00 0.71 O ATOM 0 H GLU A 129 -3.691 -5.764 -4.254 1.00 0.15 H new ATOM 0 HA GLU A 129 -2.049 -7.873 -5.513 1.00 0.19 H new ATOM 0 HB2 GLU A 129 -3.761 -9.215 -4.707 1.00 0.27 H new ATOM 0 HB3 GLU A 129 -4.894 -7.884 -4.577 1.00 0.27 H new ATOM 0 HG2 GLU A 129 -5.242 -7.888 -6.995 1.00 0.34 H new ATOM 0 HG3 GLU A 129 -4.019 -9.127 -7.200 1.00 0.34 H new ATOM 1605 N LYS A 130 -2.513 -6.944 -7.793 1.00 0.18 N ATOM 1606 CA LYS A 130 -2.787 -6.424 -9.131 1.00 0.21 C ATOM 1607 C LYS A 130 -2.273 -7.413 -10.171 1.00 0.29 C ATOM 1608 O LYS A 130 -1.295 -8.120 -9.924 1.00 0.31 O ATOM 1609 CB LYS A 130 -2.254 -4.975 -9.346 1.00 0.16 C ATOM 1610 CG LYS A 130 -0.736 -4.770 -9.399 1.00 0.19 C ATOM 1611 CD LYS A 130 -0.162 -5.117 -10.756 1.00 0.25 C ATOM 1612 CE LYS A 130 -0.493 -4.021 -11.746 1.00 0.25 C ATOM 1613 NZ LYS A 130 -0.205 -4.409 -13.148 1.00 0.39 N ATOM 0 H LYS A 130 -1.749 -7.618 -7.753 1.00 0.18 H new ATOM 0 HA LYS A 130 -3.866 -6.331 -9.250 1.00 0.21 H new ATOM 0 HB2 LYS A 130 -2.675 -4.599 -10.278 1.00 0.16 H new ATOM 0 HB3 LYS A 130 -2.648 -4.351 -8.544 1.00 0.16 H new ATOM 0 HG2 LYS A 130 -0.502 -3.732 -9.162 1.00 0.19 H new ATOM 0 HG3 LYS A 130 -0.260 -5.386 -8.636 1.00 0.19 H new ATOM 0 HD2 LYS A 130 0.919 -5.241 -10.684 1.00 0.25 H new ATOM 0 HD3 LYS A 130 -0.569 -6.067 -11.101 1.00 0.25 H new ATOM 0 HE2 LYS A 130 -1.548 -3.761 -11.655 1.00 0.25 H new ATOM 0 HE3 LYS A 130 0.078 -3.127 -11.496 1.00 0.25 H new ATOM 0 HZ1 LYS A 130 -0.254 -3.568 -13.758 1.00 0.39 H new ATOM 0 HZ2 LYS A 130 0.747 -4.823 -13.205 1.00 0.39 H new ATOM 0 HZ3 LYS A 130 -0.906 -5.108 -13.466 1.00 0.39 H new ATOM 1627 N ASP A 131 -2.978 -7.481 -11.304 1.00 0.38 N ATOM 1628 CA ASP A 131 -2.740 -8.484 -12.359 1.00 0.49 C ATOM 1629 C ASP A 131 -3.341 -9.832 -11.971 1.00 0.47 C ATOM 1630 O ASP A 131 -3.064 -10.854 -12.603 1.00 0.52 O ATOM 1631 CB ASP A 131 -1.249 -8.661 -12.702 1.00 0.55 C ATOM 1632 CG ASP A 131 -0.647 -7.460 -13.396 1.00 0.76 C ATOM 1633 OD1 ASP A 131 -1.402 -6.690 -14.027 1.00 1.03 O ATOM 1634 OD2 ASP A 131 0.587 -7.278 -13.330 1.00 1.13 O ATOM 0 H ASP A 131 -3.739 -6.837 -11.522 1.00 0.38 H new ATOM 0 HA ASP A 131 -3.234 -8.103 -13.253 1.00 0.49 H new ATOM 0 HB2 ASP A 131 -0.694 -8.858 -11.785 1.00 0.55 H new ATOM 0 HB3 ASP A 131 -1.132 -9.537 -13.340 1.00 0.55 H new ATOM 1639 N GLY A 132 -4.178 -9.827 -10.941 1.00 0.48 N ATOM 1640 CA GLY A 132 -4.827 -11.049 -10.504 1.00 0.51 C ATOM 1641 C GLY A 132 -4.038 -11.785 -9.441 1.00 0.45 C ATOM 1642 O GLY A 132 -4.395 -12.897 -9.052 1.00 0.52 O ATOM 0 H GLY A 132 -4.420 -8.997 -10.399 1.00 0.48 H new ATOM 0 HA2 GLY A 132 -5.817 -10.810 -10.115 1.00 0.51 H new ATOM 0 HA3 GLY A 132 -4.972 -11.705 -11.362 1.00 0.51 H new ATOM 1646 N GLU A 133 -2.965 -11.168 -8.965 1.00 0.47 N ATOM 1647 CA GLU A 133 -2.140 -11.776 -7.936 1.00 0.45 C ATOM 1648 C GLU A 133 -1.826 -10.775 -6.843 1.00 0.33 C ATOM 1649 O GLU A 133 -1.741 -9.568 -7.087 1.00 0.30 O ATOM 1650 CB GLU A 133 -0.815 -12.299 -8.494 1.00 0.54 C ATOM 1651 CG GLU A 133 0.274 -11.237 -8.536 1.00 0.56 C ATOM 1652 CD GLU A 133 1.582 -11.721 -9.120 1.00 0.76 C ATOM 1653 OE1 GLU A 133 2.191 -12.633 -8.525 1.00 1.31 O ATOM 1654 OE2 GLU A 133 1.997 -11.211 -10.181 1.00 1.24 O ATOM 0 H GLU A 133 -2.648 -10.250 -9.275 1.00 0.47 H new ATOM 0 HA GLU A 133 -2.713 -12.613 -7.537 1.00 0.45 H new ATOM 0 HB2 GLU A 133 -0.475 -13.136 -7.884 1.00 0.54 H new ATOM 0 HB3 GLU A 133 -0.978 -12.684 -9.501 1.00 0.54 H new ATOM 0 HG2 GLU A 133 -0.082 -10.389 -9.121 1.00 0.56 H new ATOM 0 HG3 GLU A 133 0.452 -10.873 -7.524 1.00 0.56 H new ATOM 1661 N VAL A 134 -1.640 -11.285 -5.649 1.00 0.32 N ATOM 1662 CA VAL A 134 -1.155 -10.472 -4.552 1.00 0.24 C ATOM 1663 C VAL A 134 0.354 -10.592 -4.513 1.00 0.22 C ATOM 1664 O VAL A 134 0.901 -11.693 -4.504 1.00 0.27 O ATOM 1665 CB VAL A 134 -1.755 -10.874 -3.186 1.00 0.24 C ATOM 1666 CG1 VAL A 134 -1.527 -12.335 -2.918 1.00 0.26 C ATOM 1667 CG2 VAL A 134 -1.188 -10.024 -2.061 1.00 0.21 C ATOM 0 H VAL A 134 -1.817 -12.261 -5.409 1.00 0.32 H new ATOM 0 HA VAL A 134 -1.468 -9.443 -4.727 1.00 0.24 H new ATOM 0 HB VAL A 134 -2.829 -10.694 -3.227 1.00 0.24 H new ATOM 0 HG11 VAL A 134 -1.957 -12.599 -1.952 1.00 0.26 H new ATOM 0 HG12 VAL A 134 -2.002 -12.927 -3.700 1.00 0.26 H new ATOM 0 HG13 VAL A 134 -0.457 -12.540 -2.907 1.00 0.26 H new ATOM 0 HG21 VAL A 134 -1.630 -10.332 -1.114 1.00 0.21 H new ATOM 0 HG22 VAL A 134 -0.107 -10.154 -2.016 1.00 0.21 H new ATOM 0 HG23 VAL A 134 -1.420 -8.975 -2.245 1.00 0.21 H new ATOM 1677 N LYS A 135 1.024 -9.469 -4.550 1.00 0.19 N ATOM 1678 CA LYS A 135 2.470 -9.470 -4.519 1.00 0.21 C ATOM 1679 C LYS A 135 2.975 -8.487 -3.480 1.00 0.17 C ATOM 1680 O LYS A 135 4.179 -8.336 -3.282 1.00 0.18 O ATOM 1681 CB LYS A 135 3.052 -9.165 -5.904 1.00 0.29 C ATOM 1682 CG LYS A 135 2.578 -7.861 -6.516 1.00 0.34 C ATOM 1683 CD LYS A 135 1.350 -8.063 -7.389 1.00 0.29 C ATOM 1684 CE LYS A 135 1.614 -7.649 -8.831 1.00 0.52 C ATOM 1685 NZ LYS A 135 2.718 -8.426 -9.460 1.00 1.03 N ATOM 0 H LYS A 135 0.597 -8.544 -4.601 1.00 0.19 H new ATOM 0 HA LYS A 135 2.808 -10.467 -4.237 1.00 0.21 H new ATOM 0 HB2 LYS A 135 4.139 -9.142 -5.829 1.00 0.29 H new ATOM 0 HB3 LYS A 135 2.796 -9.982 -6.579 1.00 0.29 H new ATOM 0 HG2 LYS A 135 2.348 -7.149 -5.723 1.00 0.34 H new ATOM 0 HG3 LYS A 135 3.380 -7.426 -7.112 1.00 0.34 H new ATOM 0 HD2 LYS A 135 1.050 -9.110 -7.360 1.00 0.29 H new ATOM 0 HD3 LYS A 135 0.519 -7.482 -6.989 1.00 0.29 H new ATOM 0 HE2 LYS A 135 0.703 -7.782 -9.415 1.00 0.52 H new ATOM 0 HE3 LYS A 135 1.860 -6.587 -8.861 1.00 0.52 H new ATOM 0 HZ1 LYS A 135 3.095 -7.898 -10.273 1.00 1.03 H new ATOM 0 HZ2 LYS A 135 3.476 -8.578 -8.764 1.00 1.03 H new ATOM 0 HZ3 LYS A 135 2.355 -9.346 -9.783 1.00 1.03 H new ATOM 1699 N LEU A 136 2.036 -7.849 -2.795 1.00 0.14 N ATOM 1700 CA LEU A 136 2.352 -6.935 -1.721 1.00 0.14 C ATOM 1701 C LEU A 136 1.266 -7.025 -0.653 1.00 0.14 C ATOM 1702 O LEU A 136 0.166 -7.485 -0.931 1.00 0.14 O ATOM 1703 CB LEU A 136 2.425 -5.517 -2.269 1.00 0.14 C ATOM 1704 CG LEU A 136 3.540 -4.640 -1.718 1.00 0.13 C ATOM 1705 CD1 LEU A 136 4.903 -5.294 -1.907 1.00 0.16 C ATOM 1706 CD2 LEU A 136 3.494 -3.295 -2.410 1.00 0.14 C ATOM 0 H LEU A 136 1.037 -7.954 -2.972 1.00 0.14 H new ATOM 0 HA LEU A 136 3.314 -7.197 -1.281 1.00 0.14 H new ATOM 0 HB2 LEU A 136 2.537 -5.574 -3.352 1.00 0.14 H new ATOM 0 HB3 LEU A 136 1.473 -5.024 -2.072 1.00 0.14 H new ATOM 0 HG LEU A 136 3.391 -4.507 -0.646 1.00 0.13 H new ATOM 0 HD11 LEU A 136 5.678 -4.643 -1.503 1.00 0.16 H new ATOM 0 HD12 LEU A 136 4.923 -6.250 -1.384 1.00 0.16 H new ATOM 0 HD13 LEU A 136 5.084 -5.458 -2.969 1.00 0.16 H new ATOM 0 HD21 LEU A 136 4.289 -2.659 -2.022 1.00 0.14 H new ATOM 0 HD22 LEU A 136 3.630 -3.433 -3.483 1.00 0.14 H new ATOM 0 HD23 LEU A 136 2.529 -2.823 -2.225 1.00 0.14 H new ATOM 1718 N LYS A 137 1.576 -6.630 0.567 1.00 0.17 N ATOM 1719 CA LYS A 137 0.580 -6.589 1.632 1.00 0.20 C ATOM 1720 C LYS A 137 0.834 -5.398 2.539 1.00 0.18 C ATOM 1721 O LYS A 137 1.925 -4.832 2.532 1.00 0.22 O ATOM 1722 CB LYS A 137 0.609 -7.861 2.494 1.00 0.31 C ATOM 1723 CG LYS A 137 0.890 -9.143 1.730 1.00 0.35 C ATOM 1724 CD LYS A 137 0.603 -10.374 2.571 1.00 0.28 C ATOM 1725 CE LYS A 137 1.476 -10.409 3.817 1.00 0.31 C ATOM 1726 NZ LYS A 137 2.166 -11.717 3.984 1.00 0.76 N ATOM 0 H LYS A 137 2.509 -6.332 0.850 1.00 0.17 H new ATOM 0 HA LYS A 137 -0.395 -6.509 1.152 1.00 0.20 H new ATOM 0 HB2 LYS A 137 1.368 -7.742 3.267 1.00 0.31 H new ATOM 0 HB3 LYS A 137 -0.350 -7.960 3.002 1.00 0.31 H new ATOM 0 HG2 LYS A 137 0.280 -9.169 0.827 1.00 0.35 H new ATOM 0 HG3 LYS A 137 1.932 -9.155 1.411 1.00 0.35 H new ATOM 0 HD2 LYS A 137 -0.448 -10.382 2.860 1.00 0.28 H new ATOM 0 HD3 LYS A 137 0.777 -11.271 1.977 1.00 0.28 H new ATOM 0 HE2 LYS A 137 2.219 -9.613 3.761 1.00 0.31 H new ATOM 0 HE3 LYS A 137 0.861 -10.210 4.695 1.00 0.31 H new ATOM 0 HZ1 LYS A 137 2.596 -11.764 4.930 1.00 0.76 H new ATOM 0 HZ2 LYS A 137 1.477 -12.489 3.878 1.00 0.76 H new ATOM 0 HZ3 LYS A 137 2.908 -11.813 3.261 1.00 0.76 H new ATOM 1740 N LEU A 138 -0.178 -5.013 3.294 1.00 0.18 N ATOM 1741 CA LEU A 138 0.001 -4.096 4.400 1.00 0.20 C ATOM 1742 C LEU A 138 -0.097 -4.897 5.680 1.00 0.21 C ATOM 1743 O LEU A 138 -1.144 -5.477 5.968 1.00 0.22 O ATOM 1744 CB LEU A 138 -1.039 -2.964 4.396 1.00 0.19 C ATOM 1745 CG LEU A 138 -1.043 -2.030 3.170 1.00 0.19 C ATOM 1746 CD1 LEU A 138 0.372 -1.646 2.738 1.00 0.21 C ATOM 1747 CD2 LEU A 138 -1.809 -2.655 2.017 1.00 0.17 C ATOM 0 H LEU A 138 -1.140 -5.325 3.158 1.00 0.18 H new ATOM 0 HA LEU A 138 0.975 -3.616 4.311 1.00 0.20 H new ATOM 0 HB2 LEU A 138 -2.029 -3.411 4.486 1.00 0.19 H new ATOM 0 HB3 LEU A 138 -0.882 -2.355 5.287 1.00 0.19 H new ATOM 0 HG LEU A 138 -1.551 -1.112 3.465 1.00 0.19 H new ATOM 0 HD11 LEU A 138 0.322 -0.987 1.871 1.00 0.21 H new ATOM 0 HD12 LEU A 138 0.875 -1.131 3.556 1.00 0.21 H new ATOM 0 HD13 LEU A 138 0.930 -2.546 2.478 1.00 0.21 H new ATOM 0 HD21 LEU A 138 -1.798 -1.977 1.163 1.00 0.17 H new ATOM 0 HD22 LEU A 138 -1.340 -3.598 1.738 1.00 0.17 H new ATOM 0 HD23 LEU A 138 -2.839 -2.838 2.322 1.00 0.17 H new ATOM 1759 N ILE A 139 1.009 -4.940 6.419 1.00 0.27 N ATOM 1760 CA ILE A 139 1.169 -5.770 7.603 1.00 0.30 C ATOM 1761 C ILE A 139 1.487 -7.209 7.214 1.00 0.37 C ATOM 1762 O ILE A 139 0.975 -7.733 6.221 1.00 0.42 O ATOM 1763 CB ILE A 139 -0.061 -5.801 8.519 1.00 0.27 C ATOM 1764 CG1 ILE A 139 -0.650 -4.419 8.766 1.00 0.31 C ATOM 1765 CG2 ILE A 139 0.345 -6.419 9.825 1.00 0.35 C ATOM 1766 CD1 ILE A 139 -2.027 -4.491 9.358 1.00 0.41 C ATOM 0 H ILE A 139 1.837 -4.384 6.203 1.00 0.27 H new ATOM 0 HA ILE A 139 1.990 -5.310 8.154 1.00 0.30 H new ATOM 0 HB ILE A 139 -0.838 -6.386 8.026 1.00 0.27 H new ATOM 0 HG12 ILE A 139 0.004 -3.861 9.436 1.00 0.31 H new ATOM 0 HG13 ILE A 139 -0.688 -3.868 7.826 1.00 0.31 H new ATOM 0 HG21 ILE A 139 -0.514 -6.452 10.495 1.00 0.35 H new ATOM 0 HG22 ILE A 139 0.709 -7.432 9.651 1.00 0.35 H new ATOM 0 HG23 ILE A 139 1.136 -5.823 10.279 1.00 0.35 H new ATOM 0 HD11 ILE A 139 -2.408 -3.482 9.517 1.00 0.41 H new ATOM 0 HD12 ILE A 139 -2.689 -5.025 8.676 1.00 0.41 H new ATOM 0 HD13 ILE A 139 -1.986 -5.018 10.311 1.00 0.41 H new ATOM 1847 N GLU B 554 -15.241 -7.029 2.847 1.00 0.36 N ATOM 1848 CA GLU B 554 -14.625 -8.188 2.217 1.00 0.33 C ATOM 1849 C GLU B 554 -13.442 -8.653 3.065 1.00 0.35 C ATOM 1850 O GLU B 554 -13.227 -8.117 4.151 1.00 0.40 O ATOM 1851 CB GLU B 554 -14.192 -7.815 0.794 1.00 0.32 C ATOM 1852 CG GLU B 554 -14.030 -8.992 -0.153 1.00 0.29 C ATOM 1853 CD GLU B 554 -15.113 -10.036 0.007 1.00 0.46 C ATOM 1854 OE1 GLU B 554 -14.976 -10.912 0.881 1.00 0.63 O ATOM 1855 OE2 GLU B 554 -16.105 -9.985 -0.750 1.00 0.65 O ATOM 0 HA GLU B 554 -15.335 -9.012 2.150 1.00 0.33 H new ATOM 0 HB2 GLU B 554 -14.927 -7.128 0.374 1.00 0.32 H new ATOM 0 HB3 GLU B 554 -13.246 -7.277 0.847 1.00 0.32 H new ATOM 0 HG2 GLU B 554 -14.034 -8.627 -1.180 1.00 0.29 H new ATOM 0 HG3 GLU B 554 -13.058 -9.456 0.017 1.00 0.29 H new ATOM 1862 N THR B 555 -12.697 -9.643 2.577 1.00 0.33 N ATOM 1863 CA THR B 555 -11.512 -10.159 3.255 1.00 0.35 C ATOM 1864 C THR B 555 -10.602 -9.009 3.685 1.00 0.34 C ATOM 1865 O THR B 555 -10.017 -9.020 4.765 1.00 0.45 O ATOM 1866 CB THR B 555 -10.767 -11.143 2.322 1.00 0.36 C ATOM 1867 OG1 THR B 555 -9.613 -11.671 2.968 1.00 0.45 O ATOM 1868 CG2 THR B 555 -10.365 -10.470 1.018 1.00 0.30 C ATOM 0 H THR B 555 -12.901 -10.112 1.694 1.00 0.33 H new ATOM 0 HA THR B 555 -11.815 -10.696 4.154 1.00 0.35 H new ATOM 0 HB THR B 555 -11.451 -11.959 2.092 1.00 0.36 H new ATOM 0 HG1 THR B 555 -9.155 -12.292 2.364 1.00 0.45 H new ATOM 0 HG21 THR B 555 -9.844 -11.187 0.384 1.00 0.30 H new ATOM 0 HG22 THR B 555 -11.257 -10.112 0.503 1.00 0.30 H new ATOM 0 HG23 THR B 555 -9.706 -9.628 1.231 1.00 0.30 H new ATOM 1876 N THR B 556 -10.519 -8.016 2.832 1.00 0.26 N ATOM 1877 CA THR B 556 -9.893 -6.761 3.160 1.00 0.23 C ATOM 1878 C THR B 556 -10.767 -5.656 2.626 1.00 0.21 C ATOM 1879 O THR B 556 -11.178 -4.747 3.344 1.00 0.22 O ATOM 1880 CB THR B 556 -8.507 -6.619 2.517 1.00 0.20 C ATOM 1881 OG1 THR B 556 -7.634 -7.664 2.948 1.00 0.24 O ATOM 1882 CG2 THR B 556 -7.913 -5.271 2.860 1.00 0.20 C ATOM 0 H THR B 556 -10.888 -8.059 1.882 1.00 0.26 H new ATOM 0 HA THR B 556 -9.773 -6.712 4.242 1.00 0.23 H new ATOM 0 HB THR B 556 -8.622 -6.696 1.436 1.00 0.20 H new ATOM 0 HG1 THR B 556 -7.204 -7.405 3.790 1.00 0.24 H new ATOM 0 HG21 THR B 556 -6.929 -5.179 2.399 1.00 0.20 H new ATOM 0 HG22 THR B 556 -8.564 -4.481 2.486 1.00 0.20 H new ATOM 0 HG23 THR B 556 -7.817 -5.180 3.942 1.00 0.20 H new ATOM 1890 N LEU B 557 -11.056 -5.793 1.337 1.00 0.20 N ATOM 1891 CA LEU B 557 -11.853 -4.847 0.594 1.00 0.19 C ATOM 1892 C LEU B 557 -11.083 -3.557 0.390 1.00 0.17 C ATOM 1893 O LEU B 557 -9.860 -3.572 0.404 1.00 0.18 O ATOM 1894 CB LEU B 557 -13.180 -4.577 1.292 1.00 0.21 C ATOM 1895 CG LEU B 557 -14.379 -4.519 0.366 1.00 0.21 C ATOM 1896 CD1 LEU B 557 -15.140 -3.245 0.642 1.00 0.23 C ATOM 1897 CD2 LEU B 557 -13.940 -4.624 -1.095 1.00 0.20 C ATOM 0 H LEU B 557 -10.733 -6.582 0.777 1.00 0.20 H new ATOM 0 HA LEU B 557 -12.073 -5.280 -0.382 1.00 0.19 H new ATOM 0 HB2 LEU B 557 -13.349 -5.355 2.036 1.00 0.21 H new ATOM 0 HB3 LEU B 557 -13.107 -3.632 1.830 1.00 0.21 H new ATOM 0 HG LEU B 557 -15.039 -5.366 0.552 1.00 0.21 H new ATOM 0 HD11 LEU B 557 -16.006 -3.189 -0.017 1.00 0.23 H new ATOM 0 HD12 LEU B 557 -15.473 -3.237 1.680 1.00 0.23 H new ATOM 0 HD13 LEU B 557 -14.491 -2.388 0.463 1.00 0.23 H new ATOM 0 HD21 LEU B 557 -14.816 -4.580 -1.742 1.00 0.20 H new ATOM 0 HD22 LEU B 557 -13.271 -3.798 -1.334 1.00 0.20 H new ATOM 0 HD23 LEU B 557 -13.420 -5.569 -1.252 1.00 0.20 H new ATOM 1909 N LEU B 558 -11.823 -2.460 0.228 1.00 0.18 N ATOM 1910 CA LEU B 558 -11.271 -1.127 -0.025 1.00 0.18 C ATOM 1911 C LEU B 558 -11.153 -0.895 -1.518 1.00 0.19 C ATOM 1912 O LEU B 558 -10.091 -0.573 -2.046 1.00 0.23 O ATOM 1913 CB LEU B 558 -9.925 -0.892 0.692 1.00 0.16 C ATOM 1914 CG LEU B 558 -9.988 -0.677 2.212 1.00 0.16 C ATOM 1915 CD1 LEU B 558 -10.939 -1.648 2.876 1.00 0.17 C ATOM 1916 CD2 LEU B 558 -8.608 -0.827 2.815 1.00 0.16 C ATOM 0 H LEU B 558 -12.842 -2.472 0.270 1.00 0.18 H new ATOM 0 HA LEU B 558 -11.963 -0.397 0.395 1.00 0.18 H new ATOM 0 HB2 LEU B 558 -9.279 -1.748 0.495 1.00 0.16 H new ATOM 0 HB3 LEU B 558 -9.447 -0.021 0.244 1.00 0.16 H new ATOM 0 HG LEU B 558 -10.360 0.333 2.386 1.00 0.16 H new ATOM 0 HD11 LEU B 558 -10.956 -1.464 3.950 1.00 0.17 H new ATOM 0 HD12 LEU B 558 -11.941 -1.512 2.469 1.00 0.17 H new ATOM 0 HD13 LEU B 558 -10.607 -2.669 2.688 1.00 0.17 H new ATOM 0 HD21 LEU B 558 -8.663 -0.673 3.893 1.00 0.16 H new ATOM 0 HD22 LEU B 558 -8.228 -1.828 2.611 1.00 0.16 H new ATOM 0 HD23 LEU B 558 -7.937 -0.088 2.377 1.00 0.16 H new ATOM 1928 N GLU B 559 -12.286 -1.064 -2.180 1.00 0.19 N ATOM 1929 CA GLU B 559 -12.392 -0.869 -3.619 1.00 0.21 C ATOM 1930 C GLU B 559 -13.096 0.433 -3.919 1.00 0.24 C ATOM 1931 O GLU B 559 -13.160 0.886 -5.061 1.00 0.31 O ATOM 1932 CB GLU B 559 -13.136 -2.034 -4.255 1.00 0.22 C ATOM 1933 CG GLU B 559 -12.285 -3.275 -4.372 1.00 0.25 C ATOM 1934 CD GLU B 559 -13.023 -4.431 -5.005 1.00 0.29 C ATOM 1935 OE1 GLU B 559 -14.075 -4.843 -4.467 1.00 0.33 O ATOM 1936 OE2 GLU B 559 -12.584 -4.909 -6.066 1.00 0.38 O ATOM 0 H GLU B 559 -13.161 -1.341 -1.735 1.00 0.19 H new ATOM 0 HA GLU B 559 -11.388 -0.826 -4.042 1.00 0.21 H new ATOM 0 HB2 GLU B 559 -14.022 -2.261 -3.662 1.00 0.22 H new ATOM 0 HB3 GLU B 559 -13.482 -1.741 -5.246 1.00 0.22 H new ATOM 0 HG2 GLU B 559 -11.398 -3.048 -4.964 1.00 0.25 H new ATOM 0 HG3 GLU B 559 -11.940 -3.569 -3.381 1.00 0.25 H new ATOM 1943 N ASP B 560 -13.630 1.018 -2.870 1.00 0.25 N ATOM 1944 CA ASP B 560 -14.230 2.335 -2.935 1.00 0.31 C ATOM 1945 C ASP B 560 -13.729 3.127 -1.753 1.00 0.25 C ATOM 1946 O ASP B 560 -13.423 2.536 -0.718 1.00 0.26 O ATOM 1947 CB ASP B 560 -15.761 2.282 -2.882 1.00 0.45 C ATOM 1948 CG ASP B 560 -16.380 1.387 -3.937 1.00 0.74 C ATOM 1949 OD1 ASP B 560 -16.345 1.751 -5.134 1.00 0.90 O ATOM 1950 OD2 ASP B 560 -16.926 0.327 -3.569 1.00 0.95 O ATOM 0 H ASP B 560 -13.661 0.593 -1.943 1.00 0.25 H new ATOM 0 HA ASP B 560 -13.953 2.795 -3.883 1.00 0.31 H new ATOM 0 HB2 ASP B 560 -16.069 1.933 -1.897 1.00 0.45 H new ATOM 0 HB3 ASP B 560 -16.154 3.292 -3.000 1.00 0.45 H new ATOM 1955 N GLU B 561 -13.647 4.438 -1.884 1.00 0.26 N ATOM 1956 CA GLU B 561 -13.152 5.271 -0.797 1.00 0.26 C ATOM 1957 C GLU B 561 -14.005 5.062 0.449 1.00 0.26 C ATOM 1958 O GLU B 561 -13.489 4.896 1.555 1.00 0.29 O ATOM 1959 CB GLU B 561 -13.173 6.736 -1.212 1.00 0.30 C ATOM 1960 CG GLU B 561 -12.555 7.660 -0.186 1.00 0.35 C ATOM 1961 CD GLU B 561 -12.670 9.113 -0.584 1.00 0.45 C ATOM 1962 OE1 GLU B 561 -11.812 9.593 -1.353 1.00 0.69 O ATOM 1963 OE2 GLU B 561 -13.635 9.776 -0.153 1.00 0.68 O ATOM 0 H GLU B 561 -13.914 4.949 -2.725 1.00 0.26 H new ATOM 0 HA GLU B 561 -12.125 4.986 -0.570 1.00 0.26 H new ATOM 0 HB2 GLU B 561 -12.640 6.846 -2.157 1.00 0.30 H new ATOM 0 HB3 GLU B 561 -14.204 7.041 -1.390 1.00 0.30 H new ATOM 0 HG2 GLU B 561 -13.043 7.509 0.777 1.00 0.35 H new ATOM 0 HG3 GLU B 561 -11.504 7.403 -0.055 1.00 0.35 H new ATOM 1970 N LYS B 562 -15.312 5.043 0.230 1.00 0.30 N ATOM 1971 CA LYS B 562 -16.301 4.795 1.272 1.00 0.39 C ATOM 1972 C LYS B 562 -15.935 3.593 2.133 1.00 0.34 C ATOM 1973 O LYS B 562 -15.940 3.672 3.354 1.00 0.40 O ATOM 1974 CB LYS B 562 -17.646 4.537 0.590 1.00 0.51 C ATOM 1975 CG LYS B 562 -18.769 4.092 1.518 1.00 0.74 C ATOM 1976 CD LYS B 562 -19.131 5.153 2.541 1.00 1.73 C ATOM 1977 CE LYS B 562 -20.338 4.722 3.359 1.00 2.39 C ATOM 1978 NZ LYS B 562 -20.684 5.707 4.416 1.00 3.03 N ATOM 0 H LYS B 562 -15.722 5.202 -0.690 1.00 0.30 H new ATOM 0 HA LYS B 562 -16.345 5.664 1.929 1.00 0.39 H new ATOM 0 HB2 LYS B 562 -17.957 5.449 0.080 1.00 0.51 H new ATOM 0 HB3 LYS B 562 -17.506 3.775 -0.177 1.00 0.51 H new ATOM 0 HG2 LYS B 562 -19.650 3.847 0.925 1.00 0.74 H new ATOM 0 HG3 LYS B 562 -18.469 3.180 2.035 1.00 0.74 H new ATOM 0 HD2 LYS B 562 -18.283 5.332 3.202 1.00 1.73 H new ATOM 0 HD3 LYS B 562 -19.346 6.094 2.035 1.00 1.73 H new ATOM 0 HE2 LYS B 562 -21.193 4.587 2.697 1.00 2.39 H new ATOM 0 HE3 LYS B 562 -20.136 3.755 3.819 1.00 2.39 H new ATOM 0 HZ1 LYS B 562 -21.512 5.370 4.947 1.00 3.03 H new ATOM 0 HZ2 LYS B 562 -19.879 5.817 5.065 1.00 3.03 H new ATOM 0 HZ3 LYS B 562 -20.904 6.624 3.977 1.00 3.03 H new ATOM 1992 N SER B 563 -15.575 2.504 1.487 1.00 0.27 N ATOM 1993 CA SER B 563 -15.263 1.266 2.186 1.00 0.24 C ATOM 1994 C SER B 563 -13.799 1.217 2.594 1.00 0.21 C ATOM 1995 O SER B 563 -13.416 0.459 3.480 1.00 0.20 O ATOM 1996 CB SER B 563 -15.596 0.077 1.292 1.00 0.27 C ATOM 1997 OG SER B 563 -16.884 0.216 0.718 1.00 0.91 O ATOM 0 H SER B 563 -15.490 2.447 0.472 1.00 0.27 H new ATOM 0 HA SER B 563 -15.865 1.222 3.093 1.00 0.24 H new ATOM 0 HB2 SER B 563 -14.850 -0.009 0.502 1.00 0.27 H new ATOM 0 HB3 SER B 563 -15.551 -0.844 1.874 1.00 0.27 H new ATOM 0 HG SER B 563 -17.073 -0.558 0.148 1.00 0.91 H new ATOM 2003 N LEU B 564 -12.999 2.047 1.959 1.00 0.20 N ATOM 2004 CA LEU B 564 -11.569 2.041 2.165 1.00 0.19 C ATOM 2005 C LEU B 564 -11.289 2.724 3.481 1.00 0.21 C ATOM 2006 O LEU B 564 -10.619 2.191 4.362 1.00 0.21 O ATOM 2007 CB LEU B 564 -10.873 2.799 1.038 1.00 0.19 C ATOM 2008 CG LEU B 564 -9.400 2.439 0.792 1.00 0.17 C ATOM 2009 CD1 LEU B 564 -8.802 3.351 -0.246 1.00 0.21 C ATOM 2010 CD2 LEU B 564 -8.553 2.512 2.042 1.00 0.18 C ATOM 0 H LEU B 564 -13.322 2.743 1.287 1.00 0.20 H new ATOM 0 HA LEU B 564 -11.195 1.017 2.175 1.00 0.19 H new ATOM 0 HB2 LEU B 564 -11.427 2.627 0.115 1.00 0.19 H new ATOM 0 HB3 LEU B 564 -10.934 3.866 1.253 1.00 0.19 H new ATOM 0 HG LEU B 564 -9.398 1.405 0.446 1.00 0.17 H new ATOM 0 HD11 LEU B 564 -7.758 3.082 -0.408 1.00 0.21 H new ATOM 0 HD12 LEU B 564 -9.353 3.249 -1.181 1.00 0.21 H new ATOM 0 HD13 LEU B 564 -8.862 4.383 0.099 1.00 0.21 H new ATOM 0 HD21 LEU B 564 -7.524 2.246 1.800 1.00 0.18 H new ATOM 0 HD22 LEU B 564 -8.582 3.525 2.442 1.00 0.18 H new ATOM 0 HD23 LEU B 564 -8.942 1.817 2.786 1.00 0.18 H new ATOM 2022 N VAL B 565 -11.865 3.901 3.619 1.00 0.23 N ATOM 2023 CA VAL B 565 -11.645 4.702 4.792 1.00 0.26 C ATOM 2024 C VAL B 565 -12.434 4.163 5.953 1.00 0.28 C ATOM 2025 O VAL B 565 -11.967 4.215 7.069 1.00 0.32 O ATOM 2026 CB VAL B 565 -11.982 6.174 4.528 1.00 0.29 C ATOM 2027 CG1 VAL B 565 -11.416 6.533 3.182 1.00 0.28 C ATOM 2028 CG2 VAL B 565 -13.481 6.446 4.583 1.00 0.30 C ATOM 0 H VAL B 565 -12.489 4.319 2.929 1.00 0.23 H new ATOM 0 HA VAL B 565 -10.587 4.650 5.047 1.00 0.26 H new ATOM 0 HB VAL B 565 -11.541 6.792 5.310 1.00 0.29 H new ATOM 0 HG11 VAL B 565 -11.638 7.577 2.961 1.00 0.28 H new ATOM 0 HG12 VAL B 565 -10.336 6.385 3.190 1.00 0.28 H new ATOM 0 HG13 VAL B 565 -11.863 5.897 2.418 1.00 0.28 H new ATOM 0 HG21 VAL B 565 -13.666 7.503 4.389 1.00 0.30 H new ATOM 0 HG22 VAL B 565 -13.988 5.844 3.828 1.00 0.30 H new ATOM 0 HG23 VAL B 565 -13.862 6.186 5.571 1.00 0.30 H new ATOM 2038 N SER B 566 -13.602 3.593 5.675 1.00 0.28 N ATOM 2039 CA SER B 566 -14.393 2.928 6.705 1.00 0.30 C ATOM 2040 C SER B 566 -13.592 1.807 7.351 1.00 0.30 C ATOM 2041 O SER B 566 -13.857 1.390 8.479 1.00 0.35 O ATOM 2042 CB SER B 566 -15.673 2.371 6.099 1.00 0.31 C ATOM 2043 OG SER B 566 -16.593 3.414 5.825 1.00 0.75 O ATOM 0 H SER B 566 -14.022 3.578 4.746 1.00 0.28 H new ATOM 0 HA SER B 566 -14.650 3.658 7.472 1.00 0.30 H new ATOM 0 HB2 SER B 566 -15.442 1.833 5.180 1.00 0.31 H new ATOM 0 HB3 SER B 566 -16.123 1.653 6.784 1.00 0.31 H new ATOM 0 HG SER B 566 -16.626 3.575 4.859 1.00 0.75 H new ATOM 2049 N TYR B 567 -12.593 1.356 6.622 1.00 0.26 N ATOM 2050 CA TYR B 567 -11.723 0.288 7.062 1.00 0.25 C ATOM 2051 C TYR B 567 -10.473 0.862 7.711 1.00 0.26 C ATOM 2052 O TYR B 567 -9.870 0.231 8.562 1.00 0.28 O ATOM 2053 CB TYR B 567 -11.361 -0.553 5.851 1.00 0.23 C ATOM 2054 CG TYR B 567 -10.514 -1.765 6.134 1.00 0.22 C ATOM 2055 CD1 TYR B 567 -11.094 -2.967 6.522 1.00 0.23 C ATOM 2056 CD2 TYR B 567 -9.135 -1.696 6.042 1.00 0.24 C ATOM 2057 CE1 TYR B 567 -10.310 -4.068 6.808 1.00 0.25 C ATOM 2058 CE2 TYR B 567 -8.345 -2.788 6.326 1.00 0.25 C ATOM 2059 CZ TYR B 567 -8.975 -4.026 6.601 1.00 0.24 C ATOM 2060 OH TYR B 567 -8.149 -5.067 6.993 1.00 0.29 O ATOM 0 H TYR B 567 -12.361 1.724 5.700 1.00 0.26 H new ATOM 0 HA TYR B 567 -12.227 -0.330 7.805 1.00 0.25 H new ATOM 0 HB2 TYR B 567 -12.282 -0.880 5.369 1.00 0.23 H new ATOM 0 HB3 TYR B 567 -10.834 0.079 5.136 1.00 0.23 H new ATOM 0 HD1 TYR B 567 -12.169 -3.041 6.601 1.00 0.23 H new ATOM 0 HD2 TYR B 567 -8.670 -0.769 5.742 1.00 0.24 H new ATOM 0 HE1 TYR B 567 -10.766 -4.966 7.199 1.00 0.25 H new ATOM 0 HE2 TYR B 567 -7.269 -2.702 6.339 1.00 0.25 H new ATOM 0 HH TYR B 567 -7.221 -4.855 6.759 1.00 0.29 H new ATOM 2070 N LEU B 568 -10.082 2.051 7.272 1.00 0.26 N ATOM 2071 CA LEU B 568 -8.891 2.722 7.783 1.00 0.29 C ATOM 2072 C LEU B 568 -9.166 3.601 9.001 1.00 0.35 C ATOM 2073 O LEU B 568 -8.338 3.692 9.904 1.00 0.39 O ATOM 2074 CB LEU B 568 -8.311 3.581 6.687 1.00 0.28 C ATOM 2075 CG LEU B 568 -7.223 2.944 5.850 1.00 0.25 C ATOM 2076 CD1 LEU B 568 -7.541 1.492 5.523 1.00 0.23 C ATOM 2077 CD2 LEU B 568 -7.092 3.746 4.595 1.00 0.26 C ATOM 0 H LEU B 568 -10.579 2.578 6.554 1.00 0.26 H new ATOM 0 HA LEU B 568 -8.197 1.944 8.100 1.00 0.29 H new ATOM 0 HB2 LEU B 568 -9.121 3.885 6.024 1.00 0.28 H new ATOM 0 HB3 LEU B 568 -7.910 4.489 7.138 1.00 0.28 H new ATOM 0 HG LEU B 568 -6.287 2.940 6.408 1.00 0.25 H new ATOM 0 HD11 LEU B 568 -6.736 1.070 4.921 1.00 0.23 H new ATOM 0 HD12 LEU B 568 -7.639 0.924 6.448 1.00 0.23 H new ATOM 0 HD13 LEU B 568 -8.476 1.441 4.965 1.00 0.23 H new ATOM 0 HD21 LEU B 568 -6.314 3.313 3.966 1.00 0.26 H new ATOM 0 HD22 LEU B 568 -8.040 3.737 4.057 1.00 0.26 H new ATOM 0 HD23 LEU B 568 -6.827 4.773 4.846 1.00 0.26 H new ATOM 2089 N ASN B 569 -10.311 4.269 9.014 1.00 0.38 N ATOM 2090 CA ASN B 569 -10.636 5.201 10.100 1.00 0.46 C ATOM 2091 C ASN B 569 -11.183 4.457 11.312 1.00 0.50 C ATOM 2092 O ASN B 569 -11.712 5.067 12.244 1.00 0.74 O ATOM 2093 CB ASN B 569 -11.643 6.277 9.654 1.00 0.52 C ATOM 2094 CG ASN B 569 -13.093 5.798 9.643 1.00 0.54 C ATOM 2095 OD1 ASN B 569 -13.343 4.599 9.141 1.00 0.68 O flip ATOM 2096 ND2 ASN B 569 -13.993 6.536 10.038 1.00 0.44 N flip ATOM 0 H ASN B 569 -11.029 4.189 8.294 1.00 0.38 H new ATOM 0 HA ASN B 569 -9.707 5.700 10.375 1.00 0.46 H new ATOM 0 HB2 ASN B 569 -11.559 7.137 10.318 1.00 0.52 H new ATOM 0 HB3 ASN B 569 -11.376 6.619 8.654 1.00 0.52 H new ATOM 0 HD21 ASN B 569 -13.768 7.455 10.420 1.00 0.44 H new ATOM 0 HD22 ASN B 569 -14.964 6.230 9.984 1.00 0.44 H new ATOM 2103 N TYR B 570 -11.051 3.141 11.278 1.00 0.50 N ATOM 2104 CA TYR B 570 -11.520 2.274 12.346 1.00 0.59 C ATOM 2105 C TYR B 570 -10.889 2.674 13.684 1.00 0.90 C ATOM 2106 O TYR B 570 -9.646 2.815 13.747 1.00 1.34 O ATOM 2107 CB TYR B 570 -11.210 0.806 12.006 1.00 0.39 C ATOM 2108 CG TYR B 570 -9.733 0.456 12.025 1.00 0.42 C ATOM 2109 CD1 TYR B 570 -8.883 0.899 11.019 1.00 0.36 C ATOM 2110 CD2 TYR B 570 -9.188 -0.314 13.046 1.00 0.66 C ATOM 2111 CE1 TYR B 570 -7.541 0.586 11.029 1.00 0.53 C ATOM 2112 CE2 TYR B 570 -7.845 -0.631 13.063 1.00 0.87 C ATOM 2113 CZ TYR B 570 -7.028 -0.193 12.071 1.00 0.79 C ATOM 2114 OH TYR B 570 -5.682 -0.485 12.064 1.00 1.04 O ATOM 2115 OXT TYR B 570 -11.636 2.841 14.671 1.00 1.66 O ATOM 0 H TYR B 570 -10.613 2.642 10.504 1.00 0.50 H new ATOM 0 HA TYR B 570 -12.600 2.386 12.441 1.00 0.59 H new ATOM 0 HB2 TYR B 570 -11.732 0.164 12.715 1.00 0.39 H new ATOM 0 HB3 TYR B 570 -11.611 0.582 11.018 1.00 0.39 H new ATOM 0 HD1 TYR B 570 -9.281 1.500 10.215 1.00 0.36 H new ATOM 0 HD2 TYR B 570 -9.827 -0.671 13.840 1.00 0.66 H new ATOM 0 HE1 TYR B 570 -6.892 0.938 10.241 1.00 0.53 H new ATOM 0 HE2 TYR B 570 -7.443 -1.229 13.867 1.00 0.87 H new ATOM 0 HH TYR B 570 -5.267 -0.098 11.265 1.00 1.04 H new